data_1pu1_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 1pu1 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 86.3 mt . . . . . 0 CA--C 1.534 0.331 0 CA-C-O 121.162 0.506 . . . . 10.0 110.916 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.5 t -128.91 -171.22 2.42 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.215 1.406 . . . . 10.0 109.54 170.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -42.94 -45.25 4.94 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.922 1.689 . . . . 10.0 112.825 -175.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.46 -56.66 22.07 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 123.719 0.676 . . . . 10.0 113.245 178.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.44 -42.22 98.67 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.333 1.053 . . . . 10.0 110.299 -177.235 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.3 mt -67.93 -40.28 83.37 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.561 1.144 . . . . 10.0 110.74 -178.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . 0.308 6.3 m-20 -70.32 -35.36 73.58 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 115.51 1.67 . . . . 10.0 115.51 168.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -54.89 -42.14 71.77 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 121.135 1.789 . . . . 10.0 110.348 169.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 83.5 mt -68.18 -44.62 84.09 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 CA-C-O 118.288 -0.863 . . . . 10.0 112.091 171.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 p -58.81 -40.63 84.64 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 120.34 1.427 . . . . 10.0 111.595 177.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.6 t -68.6 -43.95 75.38 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.648 1.579 . . . . 10.0 111.688 175.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -60.01 -42.37 94.16 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 118.692 0.678 . . . . 10.0 111.845 174.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.0 mt -65.61 -46.9 77.56 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.814 0.846 . . . . 10.0 111.805 175.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -58.31 -49.05 78.54 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 118.742 0.701 . . . . 10.0 111.904 176.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.69 -40.29 91.66 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-O 118.714 -0.66 . . . . 10.0 111.192 174.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.3 m -60.93 -45.3 95.22 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 118.843 0.747 . . . . 10.0 110.81 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 57.3 mt -66.15 -46.45 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 118.934 0.788 . . . . 10.0 111.072 174.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.3 t -60.57 -50.46 73.43 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.623 0.647 . . . . 10.0 112.085 -177.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -63.79 -35.27 80.05 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.098 0.959 . . . . 10.0 111.865 175.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.416 ' CE1' ' HD3' ' A' ' 29' ' ' ARG . 22.9 t80 -65.42 -45.0 85.59 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.439 -0.788 . . . . 10.0 111.949 172.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.6 mt -60.05 -45.08 96.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 O-C-N 121.029 -1.044 . . . . 10.0 109.348 174.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.6 mp -64.07 -27.41 69.08 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.794 1.035 . . . . 10.0 113.794 175.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.8 ptmt -86.85 6.61 30.95 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 119.935 1.243 . . . . 10.0 113.381 169.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.416 ' HD3' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -113.7 -48.84 2.91 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 126.148 1.779 . . . . 10.0 113.316 174.109 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.5 p -151.56 146.07 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 125.021 1.329 . . . . 10.0 110.107 -178.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.0 t -68.36 136.96 54.18 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 114.403 1.26 . . . . 10.0 114.403 -169.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.62 -24.43 3.28 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.433 1.493 . . . . 10.0 112.891 168.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -91.92 -9.91 41.46 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 114.577 1.325 . . . . 10.0 114.577 175.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -92.69 -20.26 20.99 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 125.41 1.484 . . . . 10.0 111.383 169.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.9 mt -79.54 128.41 38.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 130.99 3.716 . . . . 10.0 110.891 172.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 23.4 t -74.06 -50.62 27.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 123.968 0.907 . . . . 10.0 108.937 166.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -162.45 174.56 12.55 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.144 0.794 . . . . 10.0 113.144 170.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.4 pt -132.16 141.87 44.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 125.35 1.46 . . . . 10.0 110.156 170.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -127.43 111.1 13.46 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 124.231 1.012 . . . . 10.0 108.352 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.4 mt -129.44 118.86 46.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 109.046 -0.724 . . . . 10.0 109.046 -173.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.0 m -119.77 117.98 29.65 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 124.751 1.221 . . . . 10.0 108.378 175.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 68.0 t -106.58 125.57 62.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 N-CA-C 107.224 -1.399 . . . . 10.0 107.224 173.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.1 mp -117.67 139.02 51.58 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.494 1.118 . . . . 10.0 108.533 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.6 p -139.66 134.87 39.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 108.444 -0.947 . . . . 10.0 108.444 176.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -143.86 157.42 44.38 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 124.146 0.978 . . . . 10.0 110.281 -169.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -139.87 108.19 5.82 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 109.589 -0.522 . . . . 10.0 109.589 177.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.36 80.58 1.94 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.819 1.248 . . . . 10.0 108.9 178.052 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.0 t70 62.74 -43.89 0.19 Allowed 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 127.409 2.283 . . . . 10.0 112.79 -167.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -106.56 159.68 16.0 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 127.018 2.127 . . . . 10.0 111.097 167.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 tt -93.05 129.39 39.01 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.575 1.95 . . . . 10.0 109.894 -175.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -121.57 141.37 51.15 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.369 0.668 . . . . 10.0 111.605 173.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.8 t -136.05 124.88 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 N-CA-C 106.408 -1.701 . . . . 10.0 106.408 172.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -133.23 125.52 29.55 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 124.561 1.145 . . . . 10.0 108.226 -173.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 37.9 mt -120.93 123.73 70.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 N-CA-C 108.259 -1.015 . . . . 10.0 108.259 -172.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 27.7 t -122.93 122.2 38.01 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 124.52 1.128 . . . . 10.0 108.904 176.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.25 139.91 49.74 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.024 0.93 . . . . 10.0 110.635 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -129.19 139.19 51.99 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 126.555 1.942 . . . . 10.0 109.278 175.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -128.13 112.73 14.88 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 125.631 1.572 . . . . 10.0 107.84 -172.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -113.96 102.89 10.62 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 108.649 -0.871 . . . . 10.0 108.649 -175.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.3 mt -85.12 152.07 23.66 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 126.105 1.762 . . . . 10.0 111.391 176.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -58.25 147.32 31.01 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.873 0.694 . . . . 10.0 112.873 171.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -68.5 41.12 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 128.77 2.828 . . . . 10.0 112.718 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.0 tt -160.58 -32.92 0.05 Allowed 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 128.71 2.804 . . . . 10.0 110.973 -169.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.5 m -64.96 162.1 17.22 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.738 1.615 . . . . 10.0 112.099 173.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -155.55 116.43 3.87 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.679 1.592 . . . . 10.0 106.867 -177.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -137.75 -176.58 4.47 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.713 2.005 . . . . 10.0 112.065 -173.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -85.29 143.81 39.83 Favored Pre-proline 0 CA--C 1.547 0.862 0 O-C-N 120.949 -1.094 . . . . 10.0 113.158 -166.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -74.74 51.51 2.71 Favored 'Trans proline' 0 CA--C 1.545 1.064 1 C-N-CA 126.079 4.519 . . . . 10.0 113.208 -174.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.01 -3.08 0.03 OUTLIER Glycine 0 CA--C 1.537 1.417 0 C-N-CA 127.323 2.392 . . . . 10.0 114.348 -177.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.9 tt -57.63 -25.81 25.7 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 N-CA-C 115.17 1.544 . . . . 10.0 115.17 -169.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.8 t -80.08 -51.33 16.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 124.975 1.31 . . . . 10.0 110.411 174.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -54.33 -36.08 63.39 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 125.614 1.566 . . . . 10.0 111.519 177.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -63.38 -36.48 83.85 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 122.843 0.457 . . . . 10.0 110.444 175.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.85 -41.87 70.89 Favored 'General case' 0 C--N 1.342 0.246 0 CA-C-N 119.083 0.856 . . . . 10.0 111.349 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.3 t -69.24 -45.99 78.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-O 119.264 -0.398 . . . . 10.0 110.087 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -58.7 -42.48 88.71 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.121 1.368 . . . . 10.0 111.865 172.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.51 -41.07 98.53 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.691 0.678 . . . . 10.0 111.1 175.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.38 -44.79 93.73 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 118.135 -0.936 . . . . 10.0 112.168 172.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -65.33 -43.82 89.71 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.949 1.249 . . . . 10.0 112.032 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 45.9 mtm180 -72.79 -35.18 67.34 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.192 0.812 . . . . 10.0 113.192 178.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 21.9 t -67.11 -32.56 73.78 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 118.03 -0.986 . . . . 10.0 111.888 171.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -67.41 -46.21 73.87 Favored 'General case' 0 C--N 1.34 0.184 0 CA-C-N 119.275 0.943 . . . . 10.0 110.652 171.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -59.02 -41.17 87.12 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 118.588 -0.72 . . . . 10.0 111.901 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.1 t -78.9 -32.74 45.86 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.313 0.961 . . . . 10.0 113.053 175.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -58.85 -39.17 80.51 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 119.697 -1.877 . . . . 10.0 111.425 169.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.531 0.248 0 CA-C-O 116.713 -1.613 . . . . 10.0 114.002 170.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 78.0 mt . . . . . 0 CA--C 1.534 0.328 0 CA-C-O 121.255 0.55 . . . . 10.0 110.935 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.0 t -135.35 -168.72 2.24 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.323 1.449 . . . . 10.0 110.158 175.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -47.12 -43.75 20.93 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.423 1.489 . . . . 10.0 112.626 -174.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.45 -49.13 76.73 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 123.543 0.592 . . . . 10.0 113.58 178.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.41 -42.29 88.04 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 117.86 0.83 . . . . 10.0 111.001 177.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.3 mp -62.04 -40.58 96.21 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.021 0.929 . . . . 10.0 113.136 175.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -66.2 -46.06 78.61 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 119.355 0.98 . . . . 10.0 111.734 170.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -44.33 96.95 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 118.544 0.611 . . . . 10.0 111.73 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 75.1 mt -66.95 -42.43 88.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 123.743 0.817 . . . . 10.0 110.206 177.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.8 m -61.66 -40.68 95.77 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.698 -0.626 . . . . 10.0 111.346 177.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 t -68.51 -40.69 80.73 Favored 'General case' 0 C--N 1.341 0.233 0 CA-C-O 118.168 -0.92 . . . . 10.0 112.377 172.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -59.57 -41.2 89.66 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 119.657 1.117 . . . . 10.0 111.509 176.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.1 mt -66.81 -49.43 65.84 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.704 0.801 . . . . 10.0 111.856 174.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -56.34 -48.85 75.91 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.767 0.712 . . . . 10.0 111.583 174.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -62.15 -37.79 86.54 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.658 0.783 . . . . 10.0 111.524 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 95.1 m -61.11 -46.49 90.37 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.291 0.95 . . . . 10.0 111.173 176.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 39.7 mt -65.93 -43.79 92.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-N 118.314 0.506 . . . . 10.0 110.607 175.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.4 t -57.22 -50.96 71.23 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.73 0.812 . . . . 10.0 111.953 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.26 -38.87 77.77 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 114.862 1.43 . . . . 10.0 114.862 169.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -67.33 -45.5 76.25 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.574 1.079 . . . . 10.0 110.484 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 60.3 mt -60.02 -49.66 83.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 124.064 0.946 . . . . 10.0 110.363 174.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.07 -21.27 64.81 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 114.101 1.148 . . . . 10.0 114.101 177.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -101.63 10.65 39.97 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.86 1.264 . . . . 10.0 112.728 173.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -119.57 -37.82 3.09 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.361 1.464 . . . . 10.0 113.749 171.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.1 t -147.0 147.79 17.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 125.395 1.478 . . . . 10.0 109.905 178.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.6 t -73.66 136.94 43.86 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 113.879 1.066 . . . . 10.0 113.879 -177.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.78 -24.34 3.39 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.005 1.322 . . . . 10.0 113.022 167.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -87.07 -2.46 58.65 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.803 1.409 . . . . 10.0 114.803 173.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -108.14 -28.23 9.63 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 126.282 1.833 . . . . 10.0 110.582 172.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 90.1 mt -75.9 128.29 37.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 C-N-CA 127.793 2.437 . . . . 10.0 110.359 169.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 36.5 t -72.59 -52.45 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 C-N-CA 123.58 0.752 . . . . 10.0 109.331 168.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -164.71 177.03 8.3 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.865 0.866 . . . . 10.0 112.123 172.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 15.0 pt -135.24 129.5 50.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 125.523 1.529 . . . . 10.0 110.906 175.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -98.95 118.81 36.56 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 108.221 -1.029 . . . . 10.0 108.221 168.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 57.1 mt -131.19 124.46 55.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 N-CA-C 108.453 -0.943 . . . . 10.0 108.453 172.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 52.7 m -119.73 120.28 36.11 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 125.924 1.69 . . . . 10.0 107.765 175.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.2 t -115.49 120.24 64.15 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.145 0 N-CA-C 107.322 -1.362 . . . . 10.0 107.322 171.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -117.84 139.25 51.37 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 124.99 1.316 . . . . 10.0 108.936 179.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.4 p -133.89 139.46 48.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 C-N-CA 123.435 0.694 . . . . 10.0 109.308 177.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.9 158.05 43.94 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.238 1.415 . . . . 10.0 110.223 -168.312 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -142.33 100.9 3.8 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.453 0.701 . . . . 10.0 109.651 174.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.9 t -131.1 82.5 2.05 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.899 1.28 . . . . 10.0 108.553 -178.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.7 t70 66.7 -44.61 0.44 Allowed 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 128.2 2.6 . . . . 10.0 112.494 -167.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -107.53 157.78 17.75 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.133 1.773 . . . . 10.0 110.672 168.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.9 tt -85.27 129.06 34.89 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.034 1.333 . . . . 10.0 108.059 173.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -131.26 147.1 52.55 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.693 0.797 . . . . 10.0 110.993 -179.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 67.9 t -136.04 135.06 50.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 C-N-CA 124.899 1.28 . . . . 10.0 108.451 176.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -108.29 140.94 40.82 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 107.313 -1.366 . . . . 10.0 107.313 166.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.1 mt -131.63 110.09 16.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 N-CA-C 105.517 -2.031 . . . . 10.0 105.517 169.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 56.4 m -120.78 121.67 38.68 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 107.546 -1.279 . . . . 10.0 107.546 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.45 149.63 52.46 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.05 0.94 . . . . 10.0 111.988 -177.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.95 147.4 35.16 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.654 1.582 . . . . 10.0 110.408 172.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 54.9 tp -127.97 104.28 7.71 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.622 1.569 . . . . 10.0 110.148 -169.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -96.64 102.86 14.72 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 108.968 -0.753 . . . . 10.0 108.968 -177.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 45.3 mt -85.61 151.9 23.54 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.434 1.094 . . . . 10.0 111.27 174.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.482 ' C ' ' H ' ' A' ' 63' ' ' LEU . 26.0 t0 -59.05 147.15 35.8 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 112.147 0.425 . . . . 10.0 112.147 170.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -67.46 19.74 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.751 2.02 . . . . 10.0 113.896 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.482 ' H ' ' C ' ' A' ' 61' ' ' ASP . 14.1 tp -137.62 6.35 2.72 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 128.39 2.676 . . . . 10.0 111.457 -177.398 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.0 m -127.42 139.26 52.95 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.97 1.308 . . . . 10.0 111.605 -174.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -138.34 94.32 2.85 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.583 1.553 . . . . 10.0 110.13 -170.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.57 -173.92 3.92 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.952 1.701 . . . . 10.0 112.267 172.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -85.37 146.04 43.83 Favored Pre-proline 0 CA--C 1.548 0.878 0 O-C-N 121.044 -1.035 . . . . 10.0 111.559 -170.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -73.21 44.16 0.81 Allowed 'Trans proline' 0 CA--C 1.547 1.15 1 C-N-CA 126.209 4.606 . . . . 10.0 114.645 -169.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.14 9.93 0.02 OUTLIER Glycine 0 CA--C 1.537 1.45 0 C-N-CA 127.058 2.266 . . . . 10.0 114.141 177.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.8 tt -62.17 -23.12 30.92 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 CA-C-N 119.461 1.63 . . . . 10.0 114.696 -169.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.2 p -86.07 -30.14 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 124.189 0.995 . . . . 10.0 113.039 170.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -59.99 -36.06 76.38 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.642 1.11 . . . . 10.0 110.525 173.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -63.67 -36.69 84.68 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.17 0.588 . . . . 10.0 111.275 171.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.46 -43.12 81.8 Favored 'General case' 0 C--N 1.344 0.352 0 CA-C-N 119.011 0.823 . . . . 10.0 111.802 176.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.8 t -69.66 -41.31 80.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-O 118.324 -0.846 . . . . 10.0 110.82 178.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -58.73 -42.23 88.28 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 119.692 1.133 . . . . 10.0 111.512 170.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.81 -39.7 95.08 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.832 0.742 . . . . 10.0 111.323 177.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.12 -43.36 87.38 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.107 0.781 . . . . 10.0 113.107 171.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -63.94 -43.36 96.12 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.55 1.068 . . . . 10.0 111.963 178.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 -72.58 -30.35 64.31 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.792 0.837 . . . . 10.0 112.342 177.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 48.5 t -63.13 -45.88 89.87 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 121.807 -0.558 . . . . 10.0 110.376 168.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -62.97 -43.11 99.68 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.659 0.784 . . . . 10.0 111.499 176.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -58.81 -41.21 86.25 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.542 1.137 . . . . 10.0 111.165 175.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.7 t -78.3 -17.91 55.97 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.423 1.268 . . . . 10.0 114.423 174.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -79.98 -36.34 36.2 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.878 1.271 . . . . 10.0 110.964 176.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.548 0.868 0 C-N-CA 124.826 1.251 . . . . 10.0 113.058 177.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 73.2 mt . . . . . 0 CA--C 1.529 0.17 0 N-CA-C 108.313 -0.995 . . . . 10.0 108.313 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.6 t -153.41 -172.72 4.32 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 126.997 2.119 . . . . 10.0 107.959 -175.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -40.92 -47.19 2.94 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.987 1.715 . . . . 10.0 113.211 -177.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.8 -59.49 9.11 Favored Glycine 0 CA--C 1.535 1.342 0 CA-C-N 119.07 0.85 . . . . 10.0 114.609 178.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.53 -42.65 99.13 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 117.796 0.798 . . . . 10.0 111.226 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.0 mt -70.15 -39.35 75.4 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-O 118.666 -0.683 . . . . 10.0 112.123 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -62.24 -46.13 90.23 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 119.354 0.979 . . . . 10.0 111.296 171.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -62.51 -37.86 87.69 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.113 0.869 . . . . 10.0 112.137 176.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.9 mt -64.7 -39.68 86.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 O-C-N 120.85 -1.156 . . . . 10.0 110.347 172.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.0 p -59.58 -38.33 80.9 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.494 1.043 . . . . 10.0 112.58 171.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.18 -43.86 90.32 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 125.271 1.428 . . . . 10.0 111.36 174.086 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -60.19 -42.6 95.41 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.671 0.788 . . . . 10.0 111.477 174.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.1 mt -65.18 -49.7 68.79 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.635 0.774 . . . . 10.0 111.819 175.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.7 t-160 -59.03 -44.71 91.79 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.955 0.902 . . . . 10.0 111.928 179.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -63.19 -43.4 98.3 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 118.65 -0.69 . . . . 10.0 111.473 172.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.2 m -61.05 -46.68 89.71 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.292 0.951 . . . . 10.0 111.812 -178.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 57.4 mt -64.13 -44.2 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 CA-C-N 118.232 0.469 . . . . 10.0 110.34 175.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.7 m -60.17 -47.57 85.38 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.219 0.608 . . . . 10.0 111.784 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -63.73 -38.63 91.82 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.022 0.929 . . . . 10.0 111.595 175.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -63.52 -45.43 90.65 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 118.921 0.782 . . . . 10.0 111.762 174.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 54.3 mt -59.89 -49.41 84.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 C-N-CA 123.583 0.753 . . . . 10.0 109.323 175.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.61 -28.55 69.97 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.747 1.017 . . . . 10.0 113.747 176.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.5 0.27 50.38 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 119.882 1.219 . . . . 10.0 113.631 171.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -116.12 -37.98 3.71 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.041 1.336 . . . . 10.0 114.449 177.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.4 p -148.02 149.41 15.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.083 1.353 . . . . 10.0 110.788 -170.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.3 t -88.16 136.51 32.94 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 115.782 1.771 . . . . 10.0 115.782 -168.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.69 -24.28 3.25 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.003 1.321 . . . . 10.0 113.162 167.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.0 -16.02 61.08 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 115.064 1.505 . . . . 10.0 115.064 173.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -115.65 -25.32 7.89 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.384 1.474 . . . . 10.0 111.876 177.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.4 mm -73.01 121.04 22.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 124.57 1.148 . . . . 10.0 108.644 167.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.2 t -72.55 -49.4 41.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 C-N-CA 123.554 0.742 . . . . 10.0 109.419 168.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -161.67 175.56 11.9 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.352 0.871 . . . . 10.0 113.352 173.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.2 pt -133.09 143.16 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 C-N-CA 125.733 1.613 . . . . 10.0 110.884 170.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -123.34 130.83 53.28 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 106.096 -1.816 . . . . 10.0 106.096 167.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 47.6 mt -131.22 123.43 53.36 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.267 0 N-CA-C 106.893 -1.521 . . . . 10.0 106.893 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.2 m -119.66 117.51 28.48 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 107.676 -1.231 . . . . 10.0 107.676 -174.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.2 t -115.75 129.63 71.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 N-CA-C 108.146 -1.057 . . . . 10.0 108.146 175.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -115.56 133.98 55.51 Favored 'General case' 0 C--N 1.334 -0.098 0 N-CA-C 107.8 -1.185 . . . . 10.0 107.8 171.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.4 p -139.96 132.96 35.15 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 123.442 0.697 . . . . 10.0 110.491 177.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -153.26 160.23 42.72 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.013 0.925 . . . . 10.0 111.79 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -127.47 108.94 11.25 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.169 0.588 . . . . 10.0 109.822 174.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.5 t -131.29 80.7 1.95 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.919 1.288 . . . . 10.0 108.474 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 59.97 -36.94 0.08 Allowed 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 128.445 2.698 . . . . 10.0 114.347 -166.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -108.02 156.52 19.15 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 129.029 2.931 . . . . 10.0 109.321 168.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.6 tp -85.33 129.11 34.88 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.382 1.073 . . . . 10.0 109.58 171.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -117.69 126.98 53.46 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 108.641 -0.874 . . . . 10.0 108.641 169.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.5 p -136.27 123.52 33.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 C-N-CA 124.664 1.186 . . . . 10.0 108.002 169.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -136.62 136.71 39.41 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 124.698 1.199 . . . . 10.0 108.671 -169.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 51.9 mt -132.18 135.82 57.54 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 C-N-CA 123.916 0.887 . . . . 10.0 110.131 -168.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.5 t -131.11 139.4 49.83 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 125.233 1.413 . . . . 10.0 108.005 167.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.23 138.32 49.29 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 121.599 0.714 . . . . 10.0 109.506 170.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -126.76 128.93 47.39 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 126.353 1.861 . . . . 10.0 107.44 -172.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 50.7 tp -127.84 117.0 21.02 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 124.356 1.062 . . . . 10.0 108.939 -170.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -113.63 106.96 15.14 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.23 -0.656 . . . . 10.0 109.23 -171.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -82.27 151.86 26.6 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.815 1.646 . . . . 10.0 111.962 176.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -61.07 147.39 43.96 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.01 167.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -64.94 4.43 0.44 Allowed 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.7 1.37 . . . . 10.0 114.7 -178.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 86.3 mt -126.06 21.86 7.39 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 127.909 2.484 . . . . 10.0 111.64 175.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 65.5 m -148.79 160.28 43.36 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 120.118 -1.614 . . . . 10.0 112.774 172.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -158.89 103.25 1.69 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.509 1.124 . . . . 10.0 109.503 -169.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.57 -174.38 1.1 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.62 1.568 . . . . 10.0 113.45 176.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -85.26 143.65 39.63 Favored Pre-proline 0 CA--C 1.547 0.858 0 O-C-N 120.59 -1.319 . . . . 10.0 111.742 -170.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -73.56 60.63 4.26 Favored 'Trans proline' 0 CA--C 1.544 1.013 1 C-N-CA 125.811 4.341 . . . . 10.0 113.237 -171.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 166.51 -9.36 0.06 OUTLIER Glycine 0 CA--C 1.535 1.342 0 C-N-CA 126.407 1.956 . . . . 10.0 114.297 -177.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.1 tt -55.09 -27.88 20.13 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 C-N-CA 125.759 1.623 . . . . 10.0 114.835 -172.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 79.5 t -78.79 -51.55 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 125.612 1.565 . . . . 10.0 110.856 174.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -53.68 -37.72 63.49 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.279 1.032 . . . . 10.0 111.323 175.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -63.77 -38.6 91.69 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 119.035 -0.507 . . . . 10.0 111.953 171.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.29 -41.5 80.86 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 119.367 0.985 . . . . 10.0 111.441 178.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.0 t -71.33 -41.2 74.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 CA-C-O 118.699 -0.667 . . . . 10.0 110.728 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -58.73 -42.93 89.92 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.81 1.244 . . . . 10.0 111.672 169.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.91 -39.38 94.37 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 118.88 -0.581 . . . . 10.0 111.105 175.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.14 -45.01 90.4 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.003 0.819 . . . . 10.0 112.508 170.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -65.43 -43.66 89.78 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.468 1.031 . . . . 10.0 112.43 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 47.4 mtm180 -72.77 -29.35 63.23 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 113.391 0.886 . . . . 10.0 113.391 176.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.8 m -67.17 -43.05 83.21 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 118.464 0.575 . . . . 10.0 110.804 169.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 40.3 tp -63.46 -44.72 93.65 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 123.622 0.769 . . . . 10.0 111.835 175.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -61.09 -41.6 96.96 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.108 0.563 . . . . 10.0 111.156 175.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -68.15 -35.95 78.89 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.672 0.789 . . . . 10.0 112.179 177.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -70.12 -42.29 72.83 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.938 1.295 . . . . 10.0 111.367 174.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.0 tp . . . . . 0 CA--C 1.535 0.401 0 CA-C-N 118.639 0.654 . . . . 10.0 111.695 -179.217 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 mp . . . . . 0 CA--C 1.535 0.402 0 CA-C-O 121.322 0.582 . . . . 10.0 111.168 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.5 t -140.33 -170.82 3.07 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.122 1.369 . . . . 10.0 110.078 169.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -46.77 -39.09 11.1 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.838 1.655 . . . . 10.0 113.498 -175.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.46 -45.07 91.86 Favored Glycine 0 CA--C 1.533 1.211 0 CA-C-O 119.299 -0.723 . . . . 10.0 113.701 176.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.67 -40.31 80.22 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 118.61 1.205 . . . . 10.0 111.275 176.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.2 mp -64.88 -38.82 92.25 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 117.783 -1.103 . . . . 10.0 112.203 175.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -67.04 -46.19 75.14 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 120.109 1.322 . . . . 10.0 110.088 168.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -55.06 -43.88 74.25 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 120.273 1.397 . . . . 10.0 111.173 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.3 mt -68.66 -49.15 67.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 124.098 0.959 . . . . 10.0 111.418 174.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.2 t -60.03 -45.83 91.52 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.768 1.167 . . . . 10.0 112.709 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.2 m -66.32 -40.9 90.23 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.395 1.878 . . . . 10.0 111.452 175.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -61.23 -41.83 97.55 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.562 1.074 . . . . 10.0 112.457 171.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.0 mt -65.91 -44.59 84.73 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.524 0.73 . . . . 10.0 111.44 175.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -58.02 -48.66 79.4 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.263 0.625 . . . . 10.0 111.304 174.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.6 -41.49 94.84 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-O 118.817 -0.611 . . . . 10.0 111.769 172.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 94.4 m -60.99 -43.55 98.7 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.474 1.034 . . . . 10.0 111.014 -176.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 54.7 mt -69.86 -48.33 64.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 118.259 0.482 . . . . 10.0 111.029 173.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.8 t -60.69 -47.23 87.17 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 118.553 0.615 . . . . 10.0 112.141 -175.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -65.39 -38.74 90.9 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 118.138 -0.934 . . . . 10.0 111.863 173.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -59.51 -45.7 90.95 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 120.274 1.397 . . . . 10.0 110.699 173.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 46.4 mt -61.94 -52.89 55.08 Favored 'Isoleucine or valine' 0 C--N 1.342 0.242 0 CA-C-O 118.001 -1.0 . . . . 10.0 109.581 177.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -59.08 -32.45 69.8 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.714 1.143 . . . . 10.0 113.382 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -85.04 -2.66 58.24 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.591 1.157 . . . . 10.0 113.457 176.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -117.85 -33.18 4.57 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.366 1.466 . . . . 10.0 113.013 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 43.5 t -140.33 129.29 26.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 126.601 1.96 . . . . 10.0 109.066 169.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.7 t -69.61 136.34 51.1 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 121.838 -0.539 . . . . 10.0 112.207 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.93 -24.68 3.82 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.078 1.751 . . . . 10.0 114.862 178.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.7 ptmm? -57.62 -23.93 53.73 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 120.396 1.453 . . . . 10.0 114.698 171.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -86.64 -13.5 45.42 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.601 1.56 . . . . 10.0 112.842 174.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 77.3 mt -105.47 127.24 60.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 124.76 1.224 . . . . 10.0 109.874 -168.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 47.0 t -70.93 -52.22 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 108.824 -0.806 . . . . 10.0 108.824 169.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -164.62 177.24 8.21 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.712 0.805 . . . . 10.0 112.41 171.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.1 pt -131.59 136.53 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 125.398 1.479 . . . . 10.0 110.205 168.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -108.86 129.16 55.4 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 105.63 -1.989 . . . . 10.0 105.63 166.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 69.2 mt -131.26 123.48 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 N-CA-C 107.064 -1.458 . . . . 10.0 107.064 173.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 81.9 m -119.61 117.47 28.41 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 108.194 -1.039 . . . . 10.0 108.194 178.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.9 t -116.04 120.03 63.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 C-N-CA 124.692 1.197 . . . . 10.0 109.457 172.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 mp -117.08 139.26 50.93 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 125.978 1.711 . . . . 10.0 108.884 176.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.0 p -139.23 131.06 35.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 C-N-CA 123.746 0.819 . . . . 10.0 108.906 177.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -151.83 160.05 43.68 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 121.927 0.87 . . . . 10.0 112.147 -178.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -135.45 113.99 11.7 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 108.284 -1.006 . . . . 10.0 108.284 -172.018 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.435 ' C ' ' H ' ' A' ' 49' ' ' GLU . 0.8 OUTLIER -131.39 80.12 1.92 Allowed 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 108.011 -1.107 . . . . 10.0 108.011 179.552 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.6 t70 59.54 -35.75 0.07 Allowed 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 126.104 1.761 . . . . 10.0 113.585 -165.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.435 ' H ' ' C ' ' A' ' 47' ' ' THR . 13.5 pt-20 -98.11 159.66 14.79 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 129.799 3.239 . . . . 10.0 109.244 168.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 33.8 tp -104.83 129.09 53.2 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 108.41 -0.959 . . . . 10.0 108.41 168.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.78 150.36 49.44 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 122.614 1.197 . . . . 10.0 112.866 168.183 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.9 p -136.28 134.48 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 126.36 1.864 . . . . 10.0 107.91 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -131.72 131.02 42.7 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 125.493 1.517 . . . . 10.0 108.42 -169.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.2 mt -132.13 130.49 60.86 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 C-N-CA 124.172 0.989 . . . . 10.0 108.837 -169.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.8 t -128.43 134.98 48.9 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 107.511 -1.292 . . . . 10.0 107.511 167.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.29 138.1 49.12 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 121.326 0.584 . . . . 10.0 109.439 169.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -129.02 135.46 48.98 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 125.556 1.542 . . . . 10.0 107.889 -176.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 53.4 tp -126.68 104.35 8.04 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 124.332 1.053 . . . . 10.0 108.322 -172.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -100.08 102.79 14.23 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 107.576 -1.268 . . . . 10.0 107.576 -175.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 52.1 mt -85.45 151.9 23.62 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 124.974 1.31 . . . . 10.0 111.596 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.44 ' C ' ' H ' ' A' ' 63' ' ' LEU . 28.4 t0 -61.76 147.14 47.19 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.847 170.368 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -69.73 16.61 0.06 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.202 1.801 . . . . 10.0 113.529 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.44 ' H ' ' C ' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -131.57 4.9 4.3 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 127.883 2.473 . . . . 10.0 112.042 -178.529 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.7 t -111.78 174.43 5.88 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.699 1.2 . . . . 10.0 112.82 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -158.99 115.93 2.73 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.326 1.85 . . . . 10.0 108.529 -174.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -130.84 -173.86 3.21 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.649 1.979 . . . . 10.0 112.698 -178.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.421 ' H ' HD11 ' A' ' 70' ' ' ILE . 39.3 m-20 -85.39 142.52 37.84 Favored Pre-proline 0 CA--C 1.548 0.885 0 O-C-N 120.769 -1.207 . . . . 10.0 110.793 -169.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -73.67 41.96 0.66 Allowed 'Trans proline' 0 CA--C 1.549 1.233 1 C-N-CA 125.533 4.155 . . . . 10.0 113.959 -176.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.07 19.17 0.03 OUTLIER Glycine 0 CA--C 1.542 1.719 0 C-N-CA 127.628 2.537 . . . . 10.0 113.442 175.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.421 HD11 ' H ' ' A' ' 67' ' ' ASP . 4.4 tt -65.15 -29.74 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 N-CA-C 114.36 1.244 . . . . 10.0 114.36 -168.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.2 p -86.11 -33.66 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 C-N-CA 124.536 1.134 . . . . 10.0 112.13 175.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.57 -40.53 72.08 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.652 1.181 . . . . 10.0 111.078 174.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -64.01 -33.5 75.87 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 112.961 0.726 . . . . 10.0 112.961 170.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.99 -41.86 90.53 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 119.763 1.165 . . . . 10.0 111.368 172.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.3 t -67.32 -44.98 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 122.466 0.306 . . . . 10.0 110.842 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -58.64 -41.0 84.99 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.546 1.138 . . . . 10.0 111.764 172.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.85 -40.14 96.56 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 120.964 -1.085 . . . . 10.0 111.834 173.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.56 95.71 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.054 0.843 . . . . 10.0 112.139 172.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -63.34 -43.64 97.13 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.784 0.72 . . . . 10.0 112.557 177.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -72.28 -35.61 68.76 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 118.439 0.563 . . . . 10.0 112.143 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.7 t -68.28 -25.08 64.98 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 117.974 -1.012 . . . . 10.0 112.749 172.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 18.3 tp -76.15 -40.44 52.62 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 119.573 1.079 . . . . 10.0 111.446 169.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -58.84 -36.82 75.17 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.354 0.662 . . . . 10.0 111.14 176.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 97.0 p -79.57 -35.48 39.71 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 114.316 1.228 . . . . 10.0 114.316 169.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -58.89 -33.84 70.97 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 120.805 1.639 . . . . 10.0 112.262 174.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.553 1.083 0 C-N-CA 125.616 1.566 . . . . 10.0 113.995 174.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.9 mt . . . . . 0 CA--C 1.532 0.274 0 CA-C-O 122.179 0.99 . . . . 10.0 108.438 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -153.01 -175.15 5.2 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 128.207 2.603 . . . . 10.0 106.49 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -43.33 -40.54 3.63 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.801 2.04 . . . . 10.0 114.28 -172.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.0 -57.52 11.77 Favored Glycine 0 CA--C 1.534 1.22 0 CA-C-N 119.164 0.893 . . . . 10.0 113.708 177.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.96 -41.66 98.24 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 117.513 0.656 . . . . 10.0 110.949 177.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mp -64.11 -44.27 92.8 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.072 0.949 . . . . 10.0 113.497 176.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -66.71 -39.75 88.15 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 119.208 0.913 . . . . 10.0 111.462 174.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -66.29 -37.17 84.79 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.805 1.184 . . . . 10.0 112.485 174.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.0 mt -65.4 -42.14 92.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 O-C-N 120.719 -1.238 . . . . 10.0 110.569 172.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.0 t -58.53 -45.87 87.97 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.006 0.821 . . . . 10.0 111.557 172.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.05 -44.49 83.02 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.892 1.677 . . . . 10.0 111.693 173.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -68.09 -43.44 78.52 Favored 'General case' 0 C--O 1.236 0.372 0 O-C-N 121.727 -0.608 . . . . 10.0 112.208 -177.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -76.59 -36.94 57.24 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 113.667 0.988 . . . . 10.0 113.667 177.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -59.36 -47.54 85.02 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.531 1.06 . . . . 10.0 110.169 171.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -59.88 -41.18 91.02 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 112.388 0.514 . . . . 10.0 112.388 172.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.5 m -61.27 -45.85 92.79 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 118.793 0.724 . . . . 10.0 111.557 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 52.2 mt -66.1 -42.92 92.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 118.414 0.552 . . . . 10.0 110.924 175.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.4 t -57.94 -51.04 71.26 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.152 0.433 . . . . 10.0 111.712 176.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -58.93 -38.53 79.2 Favored 'General case' 0 C--N 1.344 0.33 0 CA-C-O 117.359 -1.305 . . . . 10.0 114.515 171.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -65.12 -46.08 82.48 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 120.157 1.344 . . . . 10.0 110.369 177.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.9 mt -63.71 -49.08 83.73 Favored 'Isoleucine or valine' 0 C--N 1.343 0.309 0 CA-C-N 118.594 0.634 . . . . 10.0 109.67 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.8 mp -65.18 -9.08 20.4 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 114.177 1.177 . . . . 10.0 114.177 177.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.6 mtmm -114.7 8.17 16.12 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.846 1.258 . . . . 10.0 113.333 171.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.95 -29.72 4.88 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 117.893 -1.051 . . . . 10.0 113.443 171.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.3 t -133.29 151.49 33.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 126.61 1.964 . . . . 10.0 109.237 173.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.9 t -77.91 136.17 37.98 Favored 'General case' 0 C--N 1.342 0.266 0 O-C-N 120.722 -1.236 . . . . 10.0 111.872 -178.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.69 -24.82 3.64 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.104 1.362 . . . . 10.0 113.294 169.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.18 -21.75 64.09 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.234 1.198 . . . . 10.0 114.234 171.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -106.67 -23.32 12.47 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.249 1.82 . . . . 10.0 111.919 -174.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 30.2 mm -70.94 108.54 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 C-N-CA 127.414 2.286 . . . . 10.0 108.325 178.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.7 t -73.16 -49.76 36.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 N-CA-C 108.636 -0.876 . . . . 10.0 108.636 169.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -163.1 175.45 11.05 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.361 0.664 . . . . 10.0 112.739 169.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.3 pt -138.68 139.21 41.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 C-N-CA 125.634 1.574 . . . . 10.0 109.902 171.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -124.53 116.71 22.91 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 124.106 0.962 . . . . 10.0 109.514 177.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 43.2 mt -131.13 127.16 60.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.135 0 C-N-CA 124.562 1.145 . . . . 10.0 108.618 -173.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.9 m -119.7 117.88 29.42 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 124.612 1.165 . . . . 10.0 108.666 175.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 65.5 t -99.4 129.54 49.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 N-CA-C 105.843 -1.91 . . . . 10.0 105.843 167.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 75.4 mt -117.51 139.04 51.46 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 107.958 -1.127 . . . . 10.0 107.958 172.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.4 p -139.82 132.07 34.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 124.43 1.092 . . . . 10.0 109.005 178.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -147.51 159.9 43.22 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.726 1.211 . . . . 10.0 109.459 -174.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -140.27 105.92 5.12 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 107.353 -1.351 . . . . 10.0 107.353 177.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.0 t -131.15 80.58 1.95 Allowed 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.791 1.237 . . . . 10.0 107.914 -177.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.5 t70 62.6 -41.68 0.17 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 127.805 2.442 . . . . 10.0 113.084 -166.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -105.16 153.52 21.42 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 127.611 2.365 . . . . 10.0 109.895 169.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 56.2 tp -85.23 129.09 34.88 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.86 1.264 . . . . 10.0 109.177 175.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -128.68 136.28 50.41 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.194 0.998 . . . . 10.0 110.314 -173.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 76.2 t -136.14 143.3 36.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 C-N-CA 124.846 1.258 . . . . 10.0 109.123 173.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -129.94 144.25 51.22 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 106.915 -1.513 . . . . 10.0 106.915 166.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 19.7 mt -130.65 120.49 48.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 N-CA-C 105.924 -1.88 . . . . 10.0 105.924 168.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.1 m -128.58 121.94 29.87 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 107.561 -1.274 . . . . 10.0 107.561 -175.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.28 146.77 52.44 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.211 1.004 . . . . 10.0 111.846 -172.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -139.37 147.58 41.69 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.647 1.179 . . . . 10.0 110.413 172.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 29.1 tp -124.93 128.21 48.27 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 125.81 1.644 . . . . 10.0 109.985 -168.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -114.18 107.96 16.32 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 121.95 0.881 . . . . 10.0 109.955 176.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.4 mt -96.45 152.07 18.96 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 125.81 1.644 . . . . 10.0 110.938 173.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.472 ' C ' ' H ' ' A' ' 63' ' ' LEU . 42.1 t0 -61.65 147.23 46.55 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 115.955 -0.566 . . . . 10.0 111.465 169.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -66.66 20.3 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 127.56 2.344 . . . . 10.0 113.462 -178.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.472 ' H ' ' C ' ' A' ' 61' ' ' ASP . 96.2 mt -136.8 5.09 2.84 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 128.266 2.626 . . . . 10.0 112.293 -173.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.31 143.36 50.46 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.893 1.277 . . . . 10.0 111.382 175.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -133.03 94.2 3.32 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 123.613 1.673 . . . . 10.0 109.134 -174.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.75 -176.45 6.09 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 113.261 -1.791 . . . . 10.0 112.414 172.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -85.31 141.76 37.33 Favored Pre-proline 0 CA--C 1.547 0.846 0 O-C-N 121.119 -0.988 . . . . 10.0 111.844 -168.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -73.99 58.56 4.18 Favored 'Trans proline' 0 CA--C 1.544 0.977 1 C-N-CA 125.969 4.446 . . . . 10.0 113.199 -171.287 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 169.64 -6.72 0.04 OUTLIER Glycine 0 CA--C 1.537 1.418 0 C-N-CA 126.717 2.103 . . . . 10.0 114.494 -176.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.1 tt -56.11 -29.43 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-N 119.308 1.554 . . . . 10.0 115.178 -171.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.7 t -71.85 -52.39 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.119 0.967 . . . . 10.0 109.943 173.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -58.42 -38.95 78.47 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.62 1.168 . . . . 10.0 111.405 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -63.88 -35.43 80.62 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 122.138 -0.351 . . . . 10.0 111.764 172.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.2 -42.84 83.47 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.878 0.763 . . . . 10.0 111.078 176.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.6 t -69.46 -41.97 80.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-O 119.1 -0.476 . . . . 10.0 111.293 178.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -58.68 -41.2 85.66 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.923 1.289 . . . . 10.0 111.216 172.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.99 -40.57 98.17 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.914 -0.491 . . . . 10.0 111.623 172.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.27 -40.55 96.19 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 119.084 0.857 . . . . 10.0 112.984 172.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -63.99 -43.15 96.56 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.003 0.819 . . . . 10.0 112.087 175.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 75.9 mtt-85 -68.22 -36.55 79.68 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.278 0.631 . . . . 10.0 111.742 174.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.3 t -62.87 -48.21 79.98 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 118.622 -0.704 . . . . 10.0 109.867 176.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 27.3 tp -63.54 -43.43 97.12 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 118.906 0.776 . . . . 10.0 112.791 174.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -41.72 91.64 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 119.006 0.821 . . . . 10.0 112.053 178.161 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.4 m -83.04 -29.4 28.89 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 122.033 -0.417 . . . . 10.0 111.628 -178.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -61.68 -42.29 98.72 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.368 1.067 . . . . 10.0 110.643 168.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.8 tp . . . . . 0 C--N 1.343 0.301 0 CA-C-N 118.677 0.671 . . . . 10.0 112.037 -179.914 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 90.6 mt . . . . . 0 CA--C 1.53 0.211 0 CA-C-O 121.056 0.455 . . . . 10.0 110.13 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.9 t -137.87 -170.75 2.85 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.432 1.493 . . . . 10.0 110.231 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.3 -40.8 3.7 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.147 1.779 . . . . 10.0 113.586 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.05 -52.42 44.86 Favored Glycine 0 CA--C 1.535 1.32 0 CA-C-N 119.128 0.876 . . . . 10.0 113.835 175.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.61 -40.57 97.25 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 118.766 1.283 . . . . 10.0 111.149 178.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.2 mp -64.96 -37.17 86.75 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.668 1.187 . . . . 10.0 112.986 175.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -69.22 -45.01 70.87 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 120.331 1.423 . . . . 10.0 110.784 168.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -54.81 -40.64 69.73 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 120.242 1.383 . . . . 10.0 111.314 178.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 88.6 mt -70.14 -49.14 57.56 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 123.241 0.616 . . . . 10.0 112.079 171.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.4 m -65.86 -45.44 82.11 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.204 -0.935 . . . . 10.0 111.768 -173.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.2 m -66.59 -35.17 79.54 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.907 1.283 . . . . 10.0 111.529 174.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -60.92 -42.47 98.19 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.976 1.262 . . . . 10.0 112.023 169.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.3 mt -66.58 -45.06 80.49 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 122.972 0.509 . . . . 10.0 111.43 176.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.0 t-160 -58.03 -48.6 79.58 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.325 0.511 . . . . 10.0 111.548 174.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.13 -40.47 93.94 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-O 118.699 -0.667 . . . . 10.0 111.007 175.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.3 m -61.01 -44.4 97.47 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.565 0.746 . . . . 10.0 111.044 -179.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 59.8 mt -67.91 -44.78 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 CA-C-N 118.395 0.543 . . . . 10.0 110.889 175.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.2 t -58.09 -47.77 82.2 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 118.32 0.509 . . . . 10.0 111.379 178.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -63.58 -38.85 92.71 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.529 1.132 . . . . 10.0 111.614 175.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -65.06 -45.67 84.38 Favored 'General case' 0 C--N 1.345 0.385 0 CA-C-N 119.247 0.93 . . . . 10.0 111.152 177.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.4 mt -59.94 -53.09 53.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 108.718 -0.845 . . . . 10.0 108.718 176.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.2 mp -61.49 -31.84 71.83 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.431 0.901 . . . . 10.0 113.431 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.88 -0.99 41.52 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 119.721 1.146 . . . . 10.0 113.749 173.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -123.37 -29.61 3.79 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 114.039 1.125 . . . . 10.0 114.039 -177.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.0 p -149.66 145.27 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 126.247 1.819 . . . . 10.0 109.898 171.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.8 t -74.3 136.79 42.61 Favored 'General case' 0 N--CA 1.465 0.306 0 O-C-N 120.955 -1.091 . . . . 10.0 113.872 -169.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.85 -24.66 3.71 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.958 1.303 . . . . 10.0 113.076 168.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -81.65 -7.83 59.64 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.553 1.316 . . . . 10.0 114.553 173.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -99.61 -11.46 20.94 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.806 1.642 . . . . 10.0 110.873 170.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.3 mt -95.22 128.23 46.57 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 127.846 2.458 . . . . 10.0 110.071 -177.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.5 t -73.14 -52.8 20.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 C-N-CA 123.801 0.841 . . . . 10.0 108.799 167.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -166.08 177.16 7.17 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.098 0.959 . . . . 10.0 111.991 171.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.3 pt -130.47 141.77 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 125.2 1.4 . . . . 10.0 110.585 171.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -114.27 119.22 36.27 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 108.379 -0.971 . . . . 10.0 108.379 169.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 43.5 mt -131.16 121.95 50.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 N-CA-C 107.89 -1.152 . . . . 10.0 107.89 174.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.1 m -119.61 118.09 30.06 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 107.666 -1.235 . . . . 10.0 107.666 177.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -115.46 117.9 57.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 125.911 1.684 . . . . 10.0 107.319 -177.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -117.64 138.84 51.7 Favored 'General case' 0 CA--C 1.523 -0.086 0 N-CA-C 108.581 -0.896 . . . . 10.0 108.581 -178.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.1 p -139.76 141.68 34.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 123.692 0.797 . . . . 10.0 109.228 172.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -143.56 153.9 43.04 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.357 1.463 . . . . 10.0 109.836 -169.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -131.35 99.73 4.94 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.864 0.866 . . . . 10.0 108.788 171.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.8 m -131.2 81.52 1.99 Allowed 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 107.57 -1.27 . . . . 10.0 107.57 177.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.9 t70 64.73 -45.43 0.32 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 128.516 2.727 . . . . 10.0 112.692 -167.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -98.36 146.84 25.29 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 127.463 2.305 . . . . 10.0 110.145 168.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.2 tt -85.39 120.13 26.52 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 106.902 -1.518 . . . . 10.0 106.902 167.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -134.12 148.94 51.05 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.376 0.67 . . . . 10.0 111.085 -175.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.1 p -136.29 148.26 27.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 125.631 1.572 . . . . 10.0 110.586 -173.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -130.85 141.62 50.33 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 125.226 1.41 . . . . 10.0 107.857 167.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.1 mt -130.32 109.7 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 N-CA-C 106.228 -1.768 . . . . 10.0 106.228 173.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.2 m -120.92 121.76 38.74 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 108.066 -1.087 . . . . 10.0 108.066 -178.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.45 155.13 47.88 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.937 0.895 . . . . 10.0 112.931 -175.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.41 146.39 32.47 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.32 1.848 . . . . 10.0 110.376 171.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 41.8 tp -128.05 104.3 7.7 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 126.038 1.735 . . . . 10.0 109.931 -173.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -93.03 102.74 15.08 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 108.793 -0.818 . . . . 10.0 108.793 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 42.6 mt -85.59 151.99 23.48 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.62 1.168 . . . . 10.0 110.895 171.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -58.9 147.06 35.39 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 112.747 0.647 . . . . 10.0 112.747 175.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -64.89 -9.83 24.03 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 114.561 1.319 . . . . 10.0 114.561 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.15 8.4 43.89 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.384 1.473 . . . . 10.0 112.844 171.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 27.5 t -112.95 151.22 30.8 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.818 1.247 . . . . 10.0 112.977 -174.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -146.03 94.91 2.54 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.503 1.921 . . . . 10.0 109.119 -172.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.8 -171.91 1.99 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.536 1.534 . . . . 10.0 112.076 175.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -85.37 144.11 40.12 Favored Pre-proline 0 CA--C 1.548 0.868 0 O-C-N 120.978 -1.077 . . . . 10.0 112.109 -168.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -74.25 45.76 1.25 Allowed 'Trans proline' 0 CA--C 1.548 1.206 1 C-N-CA 125.994 4.463 . . . . 10.0 114.135 -172.024 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.17 8.18 0.02 OUTLIER Glycine 0 CA--C 1.539 1.533 0 C-N-CA 126.932 2.206 . . . . 10.0 114.435 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.6 tt -59.3 -32.93 49.48 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 CA-C-N 118.945 1.372 . . . . 10.0 113.921 -170.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.5 p -86.11 -34.36 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 124.911 1.284 . . . . 10.0 113.055 172.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -58.74 -40.14 82.96 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 119.425 1.012 . . . . 10.0 110.572 174.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -63.78 -32.92 74.58 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 118.593 -0.717 . . . . 10.0 112.274 171.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.85 -44.49 80.87 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.979 1.263 . . . . 10.0 111.433 175.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 t -66.85 -45.06 88.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 CA-C-N 117.781 0.264 . . . . 10.0 110.436 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -58.64 -40.61 83.89 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.278 1.431 . . . . 10.0 112.031 173.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.94 -41.99 99.66 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.669 0.668 . . . . 10.0 111.333 174.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.27 -43.08 95.94 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 118.463 -0.779 . . . . 10.0 112.491 172.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -66.53 -43.76 84.3 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 119.672 1.123 . . . . 10.0 112.348 179.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 44.7 mtm180 -72.61 -30.3 64.24 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.478 -0.764 . . . . 10.0 112.666 176.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 46.7 t -63.06 -48.76 77.3 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 118.143 -0.932 . . . . 10.0 109.867 169.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 25.3 tp -58.06 -43.81 87.15 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.789 0.836 . . . . 10.0 112.469 176.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -60.94 -41.49 96.34 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 119.194 -0.431 . . . . 10.0 111.33 175.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.1 p -68.04 -31.73 71.59 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.969 0.729 . . . . 10.0 112.969 175.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -76.08 -42.13 48.32 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.387 1.075 . . . . 10.0 111.516 -176.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 CA--C 1.533 0.318 0 CA-C-O 118.279 -0.867 . . . . 10.0 111.407 171.893 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 77.1 mt . . . . . 0 CA--C 1.54 0.559 0 N-CA-C 110.224 -0.288 . . . . 10.0 110.224 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.0 t -140.2 -169.78 2.83 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.771 0.828 . . . . 10.0 110.457 175.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -41.06 -46.56 2.95 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 126.658 1.983 . . . . 10.0 113.659 -175.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.17 -49.75 50.73 Favored Glycine 0 CA--C 1.528 0.892 0 CA-C-O 121.846 0.692 . . . . 10.0 113.208 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -67.57 -35.42 78.98 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.796 1.639 . . . . 10.0 111.143 -177.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 mp -70.02 -40.42 75.22 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.314 1.446 . . . . 10.0 113.165 169.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -63.14 -39.68 95.38 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 119.591 1.087 . . . . 10.0 111.786 173.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -58.54 -44.06 89.49 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.228 0.922 . . . . 10.0 112.005 172.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.7 mt -65.85 -46.26 89.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 O-C-N 121.524 -0.735 . . . . 10.0 111.276 174.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.8 t -58.88 -42.78 90.31 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.556 0.742 . . . . 10.0 111.927 176.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.5 t -64.51 -43.91 92.59 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 125.234 1.413 . . . . 10.0 111.77 174.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.38 -42.59 92.03 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.949 0.795 . . . . 10.0 111.599 174.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.6 mt -65.76 -50.51 64.49 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.542 0.737 . . . . 10.0 111.914 176.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -57.64 -49.92 74.88 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 118.864 0.756 . . . . 10.0 111.597 177.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -61.82 -37.45 84.48 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 118.741 -0.647 . . . . 10.0 111.336 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.3 m -61.09 -46.41 90.75 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 118.92 0.782 . . . . 10.0 111.339 176.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 43.4 mt -63.71 -49.94 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-N 118.765 0.711 . . . . 10.0 110.742 174.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.2 m -61.81 -40.94 97.03 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.287 0.635 . . . . 10.0 112.378 -176.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -66.13 -38.66 88.7 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.739 0.7 . . . . 10.0 111.931 171.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -66.21 -38.26 87.53 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 119.415 1.007 . . . . 10.0 112.026 176.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.3 mt -61.48 -53.12 52.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 O-C-N 121.177 -0.952 . . . . 10.0 109.276 171.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -63.34 -32.89 74.43 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.655 0.983 . . . . 10.0 113.655 -178.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.67 -9.05 58.26 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 118.149 -0.929 . . . . 10.0 113.411 174.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 -110.33 -34.82 6.24 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.459 1.652 . . . . 10.0 115.459 171.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.0 t -141.5 134.16 29.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.532 1.533 . . . . 10.0 109.525 -176.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.1 t -71.79 136.65 47.17 Favored 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 123.738 0.815 . . . . 10.0 112.004 178.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.81 -24.69 3.68 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.409 1.084 . . . . 10.0 113.217 169.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -24.26 67.52 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 120.604 1.547 . . . . 10.0 113.904 172.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -87.55 -14.57 39.87 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.892 1.677 . . . . 10.0 111.859 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 86.5 mt -109.29 128.22 65.41 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 127.18 2.192 . . . . 10.0 109.314 -169.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.4 t -69.21 -50.35 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 O-C-N 121.682 -0.636 . . . . 10.0 110.088 169.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -163.71 176.19 9.83 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.295 0.85 . . . . 10.0 113.295 172.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.8 pt -133.09 143.13 40.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 C-N-CA 125.58 1.552 . . . . 10.0 110.443 169.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -123.67 126.85 47.32 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 107.664 -1.236 . . . . 10.0 107.664 169.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 51.9 mt -131.32 121.61 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 N-CA-C 107.709 -1.219 . . . . 10.0 107.709 -179.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.5 m -119.69 117.86 29.39 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 124.685 1.194 . . . . 10.0 108.026 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.3 t -115.53 127.21 73.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 N-CA-C 107.33 -1.359 . . . . 10.0 107.33 175.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.1 mp -117.66 139.06 51.53 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 124.978 1.311 . . . . 10.0 108.046 -175.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.3 p -139.68 137.34 39.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 C-N-CA 123.921 0.888 . . . . 10.0 109.74 176.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -148.46 156.91 43.08 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.295 1.438 . . . . 10.0 109.329 -176.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -138.12 104.9 5.35 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 107.479 -1.304 . . . . 10.0 107.479 174.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.412 ' C ' ' H ' ' A' ' 49' ' ' GLU . 9.7 t -131.21 80.86 1.96 Allowed 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.413 1.485 . . . . 10.0 108.19 -173.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.7 t70 64.64 -33.05 0.14 Allowed 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 127.63 2.372 . . . . 10.0 113.47 -167.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.412 ' H ' ' C ' ' A' ' 47' ' ' THR . 12.5 tt0 -123.78 158.66 31.24 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 128.355 2.662 . . . . 10.0 109.21 172.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 49.9 tp -85.18 129.16 34.86 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.457 1.103 . . . . 10.0 109.154 177.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -124.15 136.87 54.51 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 124.589 1.156 . . . . 10.0 109.889 178.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.0 p -136.31 141.28 41.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 C-N-CA 125.354 1.462 . . . . 10.0 108.512 173.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -140.92 146.33 37.27 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 123.979 0.912 . . . . 10.0 111.243 176.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 36.6 mt -132.43 120.03 41.22 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 C-N-CA 125.401 1.48 . . . . 10.0 109.456 -170.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.8 m -122.65 127.17 48.98 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.603 1.161 . . . . 10.0 108.725 169.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.32 138.28 49.15 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.313 0.645 . . . . 10.0 110.756 175.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -127.39 137.32 52.72 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 125.672 1.589 . . . . 10.0 109.782 -175.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -116.09 121.01 40.92 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 125.699 1.599 . . . . 10.0 107.448 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -113.52 102.68 10.53 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 107.394 -1.335 . . . . 10.0 107.394 173.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.5 mt -85.05 152.04 23.71 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 125.383 1.473 . . . . 10.0 111.242 -177.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.424 ' C ' ' H ' ' A' ' 63' ' ' LEU . 39.0 t0 -61.42 147.25 45.68 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.429 168.097 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -66.67 9.87 0.16 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.94 1.296 . . . . 10.0 114.234 -178.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.424 ' H ' ' C ' ' A' ' 61' ' ' ASP . 19.1 tp -127.83 6.88 6.12 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 128.287 2.635 . . . . 10.0 111.876 178.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.8 m -112.73 145.13 41.07 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.351 1.46 . . . . 10.0 112.046 -178.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -144.57 94.46 2.56 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.157 1.383 . . . . 10.0 110.636 -177.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.71 -168.29 2.19 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 125.881 1.672 . . . . 10.0 112.684 174.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -85.43 145.59 42.66 Favored Pre-proline 0 CA--C 1.546 0.809 0 O-C-N 121.092 -1.005 . . . . 10.0 110.269 -176.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -72.67 49.42 1.49 Allowed 'Trans proline' 0 CA--C 1.548 1.189 1 C-N-CA 125.82 4.347 . . . . 10.0 112.93 178.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.04 5.56 0.02 OUTLIER Glycine 0 CA--C 1.54 1.636 0 C-N-CA 127.605 2.526 . . . . 10.0 114.741 -175.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.3 tp -52.07 -39.94 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-N 119.881 1.841 . . . . 10.0 113.342 -174.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.5 p -86.29 -29.75 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 C-N-CA 125.434 1.494 . . . . 10.0 113.796 177.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -60.2 -44.5 95.07 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.112 0.565 . . . . 10.0 109.548 175.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -63.97 -38.1 89.84 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 118.363 -0.827 . . . . 10.0 112.459 171.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.26 -43.4 94.96 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 120.37 1.441 . . . . 10.0 111.769 178.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.3 t -68.46 -46.31 80.63 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 125.157 1.383 . . . . 10.0 111.168 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -58.64 -42.13 87.59 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.222 1.409 . . . . 10.0 112.169 170.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.97 -43.05 99.85 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.643 -0.661 . . . . 10.0 110.995 175.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.73 -42.69 99.3 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 118.437 -0.792 . . . . 10.0 112.395 172.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -66.31 -43.34 86.53 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.685 1.129 . . . . 10.0 112.84 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 45.4 mtm180 -72.84 -30.63 64.17 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 118.863 0.756 . . . . 10.0 112.399 177.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.0 t -65.42 -40.82 93.8 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 118.658 -0.687 . . . . 10.0 110.586 168.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 25.8 tp -63.64 -44.29 94.29 Favored 'General case' 0 C--N 1.342 0.265 0 CA-C-N 119.098 0.863 . . . . 10.0 112.704 174.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -59.46 -41.28 89.34 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.003 0.82 . . . . 10.0 111.102 174.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.6 m -67.83 -38.4 83.15 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.947 0.899 . . . . 10.0 112.191 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -66.26 -42.31 88.68 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.233 1.413 . . . . 10.0 111.067 173.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.5 tp . . . . . 0 N--CA 1.466 0.336 0 O-C-N 121.617 -0.677 . . . . 10.0 111.958 -179.422 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.1 mt . . . . . 0 CA--C 1.532 0.262 0 CA-C-O 122.321 1.058 . . . . 10.0 108.579 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.0 t -148.82 -175.75 5.07 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 127.756 2.422 . . . . 10.0 107.719 -178.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -38.15 -48.61 1.27 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 126.342 1.857 . . . . 10.0 113.037 -174.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.63 -61.12 7.59 Favored Glycine 0 CA--C 1.535 1.334 0 CA-C-N 118.792 0.724 . . . . 10.0 114.442 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -70.13 -33.16 71.47 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.952 -0.734 . . . . 10.0 111.553 -177.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.8 mt -69.97 -42.33 73.27 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.595 0.758 . . . . 10.0 111.843 176.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -63.46 -45.3 91.49 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 119.237 0.926 . . . . 10.0 110.784 173.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -57.74 -43.62 85.49 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.719 0.808 . . . . 10.0 112.228 174.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.4 mt -64.97 -41.5 92.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 O-C-N 121.573 -0.704 . . . . 10.0 110.761 173.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.6 p -58.8 -39.9 82.49 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.645 1.111 . . . . 10.0 112.047 174.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.6 t -66.51 -43.88 84.07 Favored 'General case' 0 C--N 1.341 0.216 0 C-N-CA 124.431 1.092 . . . . 10.0 111.102 175.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -59.45 -42.55 92.22 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.513 0.597 . . . . 10.0 112.011 174.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.8 mt -64.43 -49.75 70.25 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.472 0.709 . . . . 10.0 111.972 175.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -59.74 -47.65 84.81 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 118.187 0.448 . . . . 10.0 111.56 178.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -62.35 -36.77 83.27 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 118.642 -0.694 . . . . 10.0 111.977 175.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.0 m -61.04 -44.98 96.59 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.809 1.186 . . . . 10.0 111.465 178.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 52.0 mt -68.27 -44.33 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 O-C-N 122.117 -0.364 . . . . 10.0 110.832 175.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.5 t -57.31 -50.91 71.44 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 119.174 -0.441 . . . . 10.0 111.204 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.28 -38.78 77.67 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 114.316 1.228 . . . . 10.0 114.316 173.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -64.47 -45.75 86.03 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.543 1.065 . . . . 10.0 110.591 177.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.3 mt -66.2 -53.17 39.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-O 118.7 -0.667 . . . . 10.0 109.363 178.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.01 -16.12 60.91 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.237 1.199 . . . . 10.0 114.237 -177.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -109.44 7.06 24.75 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.583 0.957 . . . . 10.0 113.583 174.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -124.23 -20.48 5.25 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.763 1.394 . . . . 10.0 114.763 169.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.6 p -141.93 140.25 30.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 125.963 1.705 . . . . 10.0 110.163 171.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.6 t -76.45 136.58 39.41 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 121.298 -0.876 . . . . 10.0 112.107 -175.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.83 -24.84 3.82 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.467 1.107 . . . . 10.0 113.586 169.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -72.98 -11.19 60.48 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.194 1.183 . . . . 10.0 114.194 173.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -97.08 -15.34 21.04 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.732 1.613 . . . . 10.0 111.752 173.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.4 mm -101.93 128.25 54.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 128.04 2.536 . . . . 10.0 110.393 -168.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.9 t -77.37 -51.23 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 N-CA-C 109.11 -0.7 . . . . 10.0 109.11 167.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -164.6 176.99 8.41 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.67 0.788 . . . . 10.0 112.999 171.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 15.8 pt -134.6 141.76 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 125.404 1.482 . . . . 10.0 110.261 169.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -127.83 108.12 10.45 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.883 0.873 . . . . 10.0 109.13 -176.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.8 mt -122.0 124.29 70.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 N-CA-C 108.98 -0.748 . . . . 10.0 108.98 -171.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.3 m -119.65 117.82 29.31 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 125.541 1.536 . . . . 10.0 108.168 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.2 m -115.55 119.98 63.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 126.573 1.949 . . . . 10.0 107.691 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 88.4 mt -117.72 137.01 52.98 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 124.448 1.099 . . . . 10.0 108.589 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.6 p -139.79 134.27 37.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 C-N-CA 123.461 0.704 . . . . 10.0 110.036 176.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -153.22 159.97 42.72 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.844 1.258 . . . . 10.0 110.132 -171.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -142.87 102.14 3.97 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.447 -0.783 . . . . 10.0 109.716 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.421 ' C ' ' H ' ' A' ' 49' ' ' GLU . 48.5 m -131.78 97.69 4.26 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 120.964 -1.085 . . . . 10.0 109.771 171.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 57.97 -24.75 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 127.842 2.457 . . . . 10.0 115.911 -169.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.421 ' H ' ' C ' ' A' ' 47' ' ' THR . 11.5 pt-20 -133.41 159.69 39.58 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 127.453 2.301 . . . . 10.0 110.026 168.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.6 tt -85.38 128.42 34.71 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.672 1.189 . . . . 10.0 108.489 179.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -117.36 126.77 53.23 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 124.6 1.16 . . . . 10.0 108.743 175.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.3 p -136.16 123.48 33.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 106.5 -1.667 . . . . 10.0 106.5 169.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -139.77 132.6 29.17 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.773 -0.825 . . . . 10.0 108.773 -167.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 21.3 mt -132.1 127.08 57.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 C-N-CA 123.672 0.789 . . . . 10.0 109.45 -168.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.4 m -127.31 131.11 50.52 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 125.242 1.417 . . . . 10.0 108.508 174.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.19 138.38 49.38 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.46 0.704 . . . . 10.0 110.144 177.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.32 145.14 48.19 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 126.076 1.75 . . . . 10.0 109.945 177.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 64.3 tp -128.16 109.14 11.23 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 114.551 -1.204 . . . . 10.0 109.936 -169.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -108.0 102.7 11.85 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 122.511 1.148 . . . . 10.0 108.707 178.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 27.1 mt -88.5 152.05 22.13 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 126.986 2.114 . . . . 10.0 110.475 175.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -60.23 147.29 40.57 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 120.856 -0.338 . . . . 10.0 111.432 169.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -68.25 38.76 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 128.555 2.742 . . . . 10.0 112.99 -178.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 50.9 tp -160.56 -27.88 0.06 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 128.52 2.728 . . . . 10.0 112.099 -169.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 25.9 m -74.28 153.75 39.24 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.29 1.436 . . . . 10.0 112.965 -178.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -141.09 94.41 2.7 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 123.034 1.397 . . . . 10.0 110.344 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.15 -167.97 1.67 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.324 1.85 . . . . 10.0 112.204 176.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -85.41 144.44 40.52 Favored Pre-proline 0 CA--C 1.544 0.726 0 O-C-N 120.948 -1.095 . . . . 10.0 110.09 -175.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -72.68 42.17 0.57 Allowed 'Trans proline' 0 CA--C 1.549 1.237 1 C-N-CA 125.555 4.17 . . . . 10.0 113.619 -179.423 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.09 12.68 0.02 OUTLIER Glycine 0 CA--C 1.539 1.54 0 C-N-CA 126.759 2.123 . . . . 10.0 114.234 177.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 9.3 tt -60.16 -33.88 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-N 119.078 1.439 . . . . 10.0 114.198 -168.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.3 p -86.14 -39.0 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 C-N-CA 124.281 1.032 . . . . 10.0 112.046 174.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -55.27 -46.17 76.14 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.753 1.221 . . . . 10.0 110.846 175.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -63.97 -33.33 75.49 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.039 0.936 . . . . 10.0 112.517 171.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.97 -42.52 89.78 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.883 1.219 . . . . 10.0 111.715 173.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.6 t -68.29 -43.82 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 118.243 0.474 . . . . 10.0 110.576 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -58.74 -41.62 86.9 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.651 1.18 . . . . 10.0 111.55 172.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.96 -39.61 95.2 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.619 -0.676 . . . . 10.0 111.631 173.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.24 -44.03 93.07 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.191 0.905 . . . . 10.0 112.391 171.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -64.03 -43.46 95.5 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 119.354 0.979 . . . . 10.0 112.458 178.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 45.6 mtm105 -72.39 -30.22 64.47 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.519 0.6 . . . . 10.0 112.607 175.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.7 m -64.47 -43.4 94.3 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 118.694 -0.669 . . . . 10.0 110.616 169.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.37 -45.58 87.11 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.113 0.965 . . . . 10.0 112.021 177.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -58.88 -41.26 86.68 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.945 0.898 . . . . 10.0 111.103 175.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.7 m -69.67 -35.47 75.18 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.921 0.888 . . . . 10.0 112.239 174.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -68.54 -42.53 78.31 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 117.924 -1.036 . . . . 10.0 111.525 -176.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 N--CA 1.472 0.652 0 CA-C-N 120.604 1.547 . . . . 10.0 111.614 179.429 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 51.9 mt . . . . . 0 CA--C 1.534 0.336 0 N-CA-C 108.505 -0.924 . . . . 10.0 108.505 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.4 t -147.31 -171.56 3.82 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 124.607 1.163 . . . . 10.0 111.946 -167.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -62.72 44.32 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 130.371 3.468 . . . . 10.0 113.19 172.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.4 -58.48 0.02 OUTLIER Glycine 0 CA--C 1.528 0.848 0 C-N-CA 126.754 2.121 . . . . 10.0 110.154 171.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -61.57 -42.82 99.41 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.73 0.812 . . . . 10.0 112.456 176.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 98.0 mt -70.27 -36.65 74.55 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.459 -0.776 . . . . 10.0 112.364 175.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -64.33 -39.53 94.09 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.328 1.051 . . . . 10.0 111.867 174.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -60.71 -42.03 96.45 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.585 1.154 . . . . 10.0 111.591 170.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.5 mt -64.73 -43.49 96.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 CA-C-N 118.745 0.702 . . . . 10.0 110.229 172.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.5 p -58.85 -37.6 76.86 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.435 1.016 . . . . 10.0 111.734 176.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.4 m -69.59 -43.85 71.96 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.864 1.266 . . . . 10.0 110.699 177.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -60.88 -41.34 95.78 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.256 1.023 . . . . 10.0 112.144 173.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.4 mt -64.01 -49.67 71.53 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.991 0.917 . . . . 10.0 111.866 174.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -55.77 -50.0 71.62 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-N 119.363 0.983 . . . . 10.0 111.417 174.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -63.15 -37.94 89.19 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 119.497 -0.287 . . . . 10.0 110.439 -176.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 80.5 m -61.39 -46.98 87.92 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.909 0.883 . . . . 10.0 111.916 175.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 77.5 mt -67.82 -47.72 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 CA-C-N 118.509 0.595 . . . . 10.0 110.688 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.8 m -59.63 -45.51 91.74 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.248 0.619 . . . . 10.0 111.243 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.8 -38.81 89.52 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 114.296 1.221 . . . . 10.0 114.296 169.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -62.02 -45.54 93.14 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 120.61 1.55 . . . . 10.0 110.829 177.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 91.4 mt -61.38 -52.94 55.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 C-N-CA 123.725 0.81 . . . . 10.0 109.591 175.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.1 mp -64.29 -14.24 54.68 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 114.304 1.224 . . . . 10.0 114.304 179.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -100.24 -1.42 36.45 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.874 1.27 . . . . 10.0 112.931 174.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -118.84 -15.86 9.35 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.348 1.24 . . . . 10.0 114.348 168.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.3 t -144.98 141.02 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 126.001 1.72 . . . . 10.0 108.757 -174.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.7 t -75.58 135.39 40.54 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.942 1.09 . . . . 10.0 113.942 -171.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.71 -24.7 3.57 Favored 'General case' 0 CA--C 1.55 0.95 0 O-C-N 120.484 -1.385 . . . . 10.0 113.358 167.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -75.67 -21.64 57.46 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.62 1.341 . . . . 10.0 114.62 173.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -110.41 -16.81 13.61 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 119.578 1.081 . . . . 10.0 112.638 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.1 mm -70.94 113.67 7.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 107.055 -1.461 . . . . 10.0 107.055 167.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.5 t -71.54 -49.99 42.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 N-CA-C 108.681 -0.859 . . . . 10.0 108.681 168.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -164.93 177.04 8.14 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.612 0.765 . . . . 10.0 112.2 171.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -134.82 140.07 46.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 C-N-CA 125.269 1.428 . . . . 10.0 109.479 168.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -120.35 110.35 16.44 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.122 -1.066 . . . . 10.0 108.122 -177.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 33.1 mt -128.17 122.02 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 123.753 0.821 . . . . 10.0 108.904 -171.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.6 m -115.58 117.71 31.07 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 125.626 1.57 . . . . 10.0 107.365 178.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -115.54 117.74 56.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 125.393 1.477 . . . . 10.0 107.466 178.01 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.94 139.07 51.68 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.719 1.208 . . . . 10.0 109.568 -177.078 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.1 p -139.82 140.8 35.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 123.034 0.534 . . . . 10.0 110.955 -178.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -150.5 160.03 44.07 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.047 0.939 . . . . 10.0 112.068 179.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -131.74 105.35 7.44 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 108.467 -0.938 . . . . 10.0 108.467 169.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.44 ' C ' ' H ' ' A' ' 49' ' ' GLU . 5.0 p -131.02 80.66 1.95 Allowed 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.357 1.463 . . . . 10.0 107.13 -173.03 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.5 t70 62.79 -27.1 0.07 Allowed 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 127.339 2.255 . . . . 10.0 113.966 -167.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.44 ' H ' ' C ' ' A' ' 47' ' ' THR . 37.7 tt0 -134.76 159.96 39.69 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 128.585 2.754 . . . . 10.0 109.574 172.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 35.0 tp -85.0 129.12 34.85 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.401 1.08 . . . . 10.0 109.135 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.1 tptp -132.19 146.2 51.86 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 122.43 1.11 . . . . 10.0 110.157 172.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.9 p -135.2 147.32 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 125.966 1.707 . . . . 10.0 107.807 174.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -123.11 142.92 50.36 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 125.241 1.416 . . . . 10.0 108.267 169.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.2 mt -131.05 108.81 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 N-CA-C 105.253 -2.129 . . . . 10.0 105.253 175.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.6 m -124.49 121.66 35.46 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 107.239 -1.393 . . . . 10.0 107.239 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.5 150.26 52.22 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.766 0.826 . . . . 10.0 112.32 -173.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -140.94 143.57 34.63 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.829 2.051 . . . . 10.0 109.331 -178.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 36.4 tp -128.29 121.87 30.3 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.471 1.508 . . . . 10.0 111.695 -169.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -114.1 107.12 15.22 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 121.447 0.641 . . . . 10.0 112.198 178.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -82.25 151.94 26.59 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 126.239 1.816 . . . . 10.0 111.546 168.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.463 ' C ' ' H ' ' A' ' 63' ' ' LEU . 25.8 t0 -61.48 147.18 46.13 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.299 0.64 . . . . 10.0 110.72 167.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -66.99 17.19 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.121 1.769 . . . . 10.0 113.877 -179.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.463 ' H ' ' C ' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -133.59 5.27 3.69 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 128.299 2.64 . . . . 10.0 112.456 -177.478 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.3 t -131.99 169.01 16.93 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.337 1.055 . . . . 10.0 112.132 172.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -153.72 94.77 1.81 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.224 1.81 . . . . 10.0 109.085 -172.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.9 -177.04 5.77 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.892 1.277 . . . . 10.0 112.538 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -85.43 134.44 40.3 Favored Pre-proline 0 CA--C 1.547 0.863 0 O-C-N 120.615 -1.303 . . . . 10.0 110.517 -173.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -74.53 63.34 5.54 Favored 'Trans proline' 0 CA--C 1.542 0.901 1 C-N-CA 125.399 4.066 . . . . 10.0 113.201 -169.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.09 -8.43 0.03 OUTLIER Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.74 1.162 . . . . 10.0 115.589 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 73.3 mt -56.07 -30.92 30.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 120.03 1.915 . . . . 10.0 113.697 -175.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 70.4 t -64.95 -54.68 26.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 CA-C-N 118.987 0.812 . . . . 10.0 111.187 172.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -58.12 -41.49 83.75 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.42 1.088 . . . . 10.0 110.761 177.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -63.88 -40.33 96.28 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 118.73 -0.652 . . . . 10.0 112.024 172.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.37 -41.62 84.78 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.649 1.113 . . . . 10.0 111.1 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.74 -46.99 87.52 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 C-N-CA 125.066 1.346 . . . . 10.0 110.875 176.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -58.69 -42.15 87.9 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.672 1.589 . . . . 10.0 112.302 171.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.16 -42.11 96.87 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.51 -0.744 . . . . 10.0 111.302 175.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.35 -39.6 94.99 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 118.312 -0.852 . . . . 10.0 112.403 172.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -63.88 -43.42 96.09 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 119.65 1.114 . . . . 10.0 112.011 173.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 74.5 mtt-85 -63.95 -44.06 93.92 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 120.753 -1.217 . . . . 10.0 110.562 176.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.8 t -68.25 -16.71 64.07 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 117.144 -1.408 . . . . 10.0 114.43 175.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 39.6 tp -87.28 -47.13 9.08 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 120.191 1.36 . . . . 10.0 111.807 169.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.31 -41.23 77.03 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 118.948 -0.549 . . . . 10.0 110.552 -175.036 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.8 m -69.39 -18.33 63.75 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.464 0.912 . . . . 10.0 113.464 172.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -80.99 -42.1 21.71 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.295 1.438 . . . . 10.0 110.526 174.166 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 N--CA 1.475 0.79 0 O-C-N 120.87 -1.144 . . . . 10.0 112.042 172.303 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 69.8 mt . . . . . 0 CA--C 1.536 0.44 0 N-CA-C 109.639 -0.504 . . . . 10.0 109.639 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.1 t -147.0 -173.57 4.27 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.801 1.24 . . . . 10.0 109.396 174.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -47.63 -39.89 18.16 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.326 1.45 . . . . 10.0 113.36 -172.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.89 -53.47 37.31 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 123.809 0.719 . . . . 10.0 113.28 176.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -65.28 -39.41 92.55 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.197 1.399 . . . . 10.0 111.758 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.21 -39.49 89.66 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.986 0.914 . . . . 10.0 113.254 171.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -65.17 -42.38 93.75 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 119.468 1.031 . . . . 10.0 111.43 171.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -62.29 -41.99 98.97 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.489 1.04 . . . . 10.0 111.964 175.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 52.5 mt -64.79 -43.61 96.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 O-C-N 121.153 -0.967 . . . . 10.0 110.463 174.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.3 m -63.62 -41.59 98.26 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.413 0.685 . . . . 10.0 111.223 178.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.0 t -62.1 -43.93 97.77 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.995 1.718 . . . . 10.0 111.734 172.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -61.17 -40.7 94.87 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.076 0.95 . . . . 10.0 112.137 175.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.8 mt -65.37 -51.29 61.42 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 123.125 0.57 . . . . 10.0 111.54 173.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.9 t-160 -57.9 -47.97 81.25 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.211 0.604 . . . . 10.0 111.595 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -63.89 -35.56 81.07 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 118.14 -0.933 . . . . 10.0 112.104 175.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.0 m -61.09 -47.13 87.73 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.915 1.234 . . . . 10.0 111.284 174.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.8 mt -65.14 -46.06 92.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-N 118.48 0.582 . . . . 10.0 110.229 177.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.9 t -57.62 -48.36 79.65 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.175 0.59 . . . . 10.0 111.626 178.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -63.16 -38.88 92.9 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.781 -0.575 . . . . 10.0 112.242 175.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -62.49 -45.65 92.03 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 119.338 0.972 . . . . 10.0 110.734 176.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.9 mt -61.48 -52.97 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-O 118.059 -0.972 . . . . 10.0 109.477 176.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.64 -28.52 68.62 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.692 1.133 . . . . 10.0 113.691 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -82.77 -5.7 59.05 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.046 1.128 . . . . 10.0 114.046 172.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -128.1 -29.95 2.48 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 115.325 1.602 . . . . 10.0 115.325 -174.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.6 t -137.25 144.42 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 126.597 1.959 . . . . 10.0 109.448 178.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 45.7 t -85.51 136.58 33.36 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 115.422 1.638 . . . . 10.0 115.422 -168.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.95 -24.46 3.67 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 120.617 -1.302 . . . . 10.0 113.262 167.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -77.46 -5.24 49.19 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.888 1.44 . . . . 10.0 114.888 175.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -128.88 -22.99 3.15 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.701 1.601 . . . . 10.0 112.554 177.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.1 mm -70.85 112.16 5.41 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 N-CA-C 106.763 -1.569 . . . . 10.0 106.763 168.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.6 t -68.91 -47.76 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 C-N-CA 124.03 0.932 . . . . 10.0 109.418 171.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -161.24 174.56 13.42 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 121.523 0.677 . . . . 10.0 112.599 169.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.7 pt -136.23 138.56 46.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 C-N-CA 125.004 1.321 . . . . 10.0 110.191 169.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -122.74 120.53 33.91 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 107.698 -1.223 . . . . 10.0 107.698 176.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 59.2 mt -131.16 117.52 37.27 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.145 0 N-CA-C 108.095 -1.076 . . . . 10.0 108.095 -174.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 89.9 m -119.7 117.65 28.84 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 125.023 1.329 . . . . 10.0 107.6 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 m -115.68 130.17 70.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 125.863 1.665 . . . . 10.0 108.691 -178.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -117.69 139.01 51.61 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 124.66 1.184 . . . . 10.0 108.796 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.0 p -139.72 133.21 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 C-N-CA 124.194 0.998 . . . . 10.0 109.148 174.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -150.3 159.34 44.52 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.105 1.362 . . . . 10.0 109.806 -170.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -145.5 100.36 3.43 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 108.315 -0.994 . . . . 10.0 108.315 176.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 99.6 m -131.14 80.97 1.96 Allowed 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.025 1.73 . . . . 10.0 107.392 -172.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.2 t70 66.14 -47.44 0.42 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 127.514 2.325 . . . . 10.0 112.06 -167.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.474 ' CD ' ' HZ3' ' A' ' 51' ' ' LYS . 5.2 pt-20 -98.41 157.54 16.14 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.807 1.643 . . . . 10.0 110.702 167.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.1 tp -85.35 129.09 34.89 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 108.112 -1.07 . . . . 10.0 108.112 168.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.474 ' HZ3' ' CD ' ' A' ' 49' ' ' GLU . 1.9 tppp? -128.65 137.5 51.68 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.55 0.69 . . . . 10.0 110.655 179.076 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.1 p -136.11 138.93 46.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 C-N-CA 125.273 1.429 . . . . 10.0 107.8 170.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -140.13 146.13 38.44 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.993 0.917 . . . . 10.0 111.187 179.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.5 mt -132.3 122.17 47.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 C-N-CA 124.76 1.224 . . . . 10.0 109.717 -168.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.0 m -124.65 125.57 44.34 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 124.309 1.044 . . . . 10.0 109.124 171.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.25 145.17 51.79 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.908 0.883 . . . . 10.0 110.965 177.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -131.06 142.7 50.32 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 125.566 1.546 . . . . 10.0 110.102 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -120.28 107.11 12.57 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 126.096 1.758 . . . . 10.0 107.776 -176.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -100.03 112.84 25.13 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 107.847 -1.168 . . . . 10.0 107.847 175.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 23.6 mt -112.94 151.94 29.94 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 126.54 1.936 . . . . 10.0 110.553 -173.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.48 ' C ' ' H ' ' A' ' 63' ' ' LEU . 46.4 t0 -66.3 147.2 53.66 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.435 -0.348 . . . . 10.0 111.069 176.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -69.23 24.79 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.238 1.815 . . . . 10.0 113.302 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.48 ' H ' ' C ' ' A' ' 61' ' ' ASP . 96.6 mt -139.89 7.47 2.27 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 128.998 2.919 . . . . 10.0 111.847 -175.171 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.7 t -134.22 163.24 30.05 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.922 0.889 . . . . 10.0 112.772 172.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -145.09 94.68 2.56 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 127.257 2.223 . . . . 10.0 108.867 -172.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.02 -178.4 6.09 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.55 1.14 . . . . 10.0 112.313 172.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -85.33 144.99 41.59 Favored Pre-proline 0 CA--C 1.548 0.891 0 O-C-N 120.897 -1.127 . . . . 10.0 111.548 -169.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -74.29 47.72 1.64 Allowed 'Trans proline' 0 CA--C 1.547 1.137 1 C-N-CA 126.033 4.489 . . . . 10.0 114.065 -171.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.01 8.87 0.02 OUTLIER Glycine 0 CA--C 1.538 1.514 0 C-N-CA 127.132 2.301 . . . . 10.0 114.467 176.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -64.16 -27.3 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-N 119.7 1.75 . . . . 10.0 113.599 -169.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.5 t -70.77 -53.76 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 125.488 1.515 . . . . 10.0 109.895 173.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.99 -45.08 79.09 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 126.848 2.059 . . . . 10.0 110.438 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -64.56 -35.41 80.9 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 118.467 -0.778 . . . . 10.0 112.717 172.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.21 -42.06 80.39 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 120.162 1.346 . . . . 10.0 111.298 176.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 40.3 t -67.69 -45.2 85.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 125.626 1.57 . . . . 10.0 111.069 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -58.55 -42.86 88.85 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.915 1.686 . . . . 10.0 111.425 170.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.95 -41.4 99.5 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 118.45 0.568 . . . . 10.0 111.085 175.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.78 -39.8 95.13 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 118.902 0.774 . . . . 10.0 113.081 171.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -62.1 -43.13 99.51 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.508 1.049 . . . . 10.0 112.333 173.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 46.2 mtt-85 -66.88 -36.36 82.11 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.168 0.895 . . . . 10.0 111.77 173.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.4 t -63.0 -35.42 80.14 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.107 0.963 . . . . 10.0 111.123 174.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -63.77 -43.98 94.77 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.964 0.906 . . . . 10.0 112.103 172.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -62.31 -41.39 98.48 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 118.632 0.651 . . . . 10.0 111.149 174.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 73.0 m -65.07 -32.39 74.08 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.727 0.811 . . . . 10.0 112.718 174.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -66.93 -42.37 85.44 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.279 -0.888 . . . . 10.0 111.402 175.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 N--CA 1.468 0.443 0 CA-C-N 119.226 0.921 . . . . 10.0 111.799 175.309 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 77.2 mt . . . . . 0 CA--C 1.53 0.192 0 CA-C-O 122.602 1.191 . . . . 10.0 107.911 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.7 p -144.87 178.38 8.06 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 127.647 2.379 . . . . 10.0 108.509 -167.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -48.01 -38.1 16.3 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.225 1.01 . . . . 10.0 113.664 -175.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.61 -63.03 5.17 Favored Glycine 0 CA--C 1.529 0.964 0 C-N-CA 123.804 0.716 . . . . 10.0 112.747 173.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.98 -37.5 74.33 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 117.463 0.631 . . . . 10.0 112.229 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.41 -39.85 85.54 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.588 1.329 . . . . 10.0 114.588 172.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -68.36 -37.82 80.83 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 120.025 1.284 . . . . 10.0 111.857 172.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -68.71 -38.69 80.44 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.009 0.924 . . . . 10.0 112.176 175.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.1 mt -64.78 -48.1 85.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 119.224 0.92 . . . . 10.0 109.349 170.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.2 m -58.94 -41.02 86.4 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.416 -0.802 . . . . 10.0 111.205 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.1 m -63.6 -43.7 96.15 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.167 1.387 . . . . 10.0 112.39 172.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -59.43 -42.59 92.24 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 118.987 0.812 . . . . 10.0 112.2 176.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -72.07 -39.03 69.31 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 117.877 -1.059 . . . . 10.0 112.552 177.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -56.28 -50.08 72.41 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 119.712 1.142 . . . . 10.0 111.292 169.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -64.62 -35.29 80.55 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 118.739 -0.648 . . . . 10.0 111.356 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.7 m -61.12 -47.26 87.1 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.21 0.914 . . . . 10.0 111.727 176.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 52.1 mt -69.31 -46.98 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 CA-C-N 118.547 0.612 . . . . 10.0 110.418 176.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.0 m -59.84 -43.91 94.38 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 118.356 0.525 . . . . 10.0 111.972 -179.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -65.86 -38.77 89.71 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 118.584 -0.722 . . . . 10.0 111.864 173.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -61.83 -45.91 91.76 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-N 119.672 1.124 . . . . 10.0 110.113 175.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.8 mt -61.29 -52.95 55.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-O 118.166 -0.921 . . . . 10.0 109.568 177.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.4 mp -62.19 -18.05 59.9 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.394 1.257 . . . . 10.0 114.394 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -99.71 0.56 42.07 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.539 1.136 . . . . 10.0 113.348 172.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.4 tpt85 -124.61 -26.57 3.82 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.811 1.244 . . . . 10.0 113.523 -176.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.2 t -143.21 145.84 22.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 127.727 2.411 . . . . 10.0 108.278 173.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.5 t -80.53 132.33 35.66 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 120.499 -1.376 . . . . 10.0 112.057 -175.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.26 -24.94 4.94 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.707 1.203 . . . . 10.0 113.333 168.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -70.68 -12.8 61.78 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.733 1.012 . . . . 10.0 113.733 174.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -97.99 -14.3 20.64 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.432 1.493 . . . . 10.0 111.986 172.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 69.3 mt -94.67 126.03 47.18 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 124.879 1.272 . . . . 10.0 109.696 -168.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.0 t -72.12 -52.4 24.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 C-N-CA 124.471 1.108 . . . . 10.0 108.69 169.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -162.12 174.12 13.39 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.624 0.77 . . . . 10.0 112.777 169.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.4 pt -133.11 133.04 58.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 C-N-CA 125.609 1.564 . . . . 10.0 109.542 171.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -117.67 107.18 13.9 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 108.697 -0.853 . . . . 10.0 108.697 -174.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 74.0 mt -131.02 117.59 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 123.493 0.717 . . . . 10.0 109.175 -172.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 96.7 m -119.91 129.82 54.53 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 125.531 1.532 . . . . 10.0 109.418 177.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.7 t -115.77 136.1 53.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 C-N-CA 124.534 1.134 . . . . 10.0 108.687 174.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -117.66 135.9 53.69 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.086 1.355 . . . . 10.0 108.277 174.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.6 p -139.96 130.94 31.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 123.625 0.77 . . . . 10.0 110.203 173.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -141.91 160.05 40.98 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.769 1.228 . . . . 10.0 111.223 -173.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -135.92 108.43 7.41 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 107.941 -1.133 . . . . 10.0 107.941 171.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 95.1 m -131.66 86.64 2.37 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.006 -1.059 . . . . 10.0 109.23 174.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.6 t70 65.0 -35.12 0.18 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 127.172 2.189 . . . . 10.0 113.434 -168.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -122.96 156.62 34.38 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.678 1.991 . . . . 10.0 110.04 168.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 tt -85.43 128.98 34.91 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.058 1.343 . . . . 10.0 109.068 176.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -128.04 139.98 52.23 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.797 1.239 . . . . 10.0 110.072 177.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 11.5 p -136.4 140.63 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 124.682 1.193 . . . . 10.0 109.917 174.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -141.03 146.24 36.95 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.581 1.552 . . . . 10.0 110.793 -173.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.6 mm -130.73 131.19 64.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 125.193 1.397 . . . . 10.0 108.617 -170.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.0 t -131.58 122.15 25.59 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.572 1.149 . . . . 10.0 109.409 169.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.28 143.93 50.91 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.02 0.928 . . . . 10.0 112.072 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.12 147.37 41.84 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 126.046 1.739 . . . . 10.0 111.221 177.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 59.5 tp -128.12 118.31 23.19 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 124.97 1.308 . . . . 10.0 110.678 -175.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -114.15 103.03 10.71 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 122.119 0.962 . . . . 10.0 109.854 178.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 42.9 mt -89.35 152.26 21.62 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 126.992 2.117 . . . . 10.0 111.492 176.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.497 ' C ' ' H ' ' A' ' 63' ' ' LEU . 37.5 t0 -62.56 147.51 48.86 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.276 170.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -64.95 18.95 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 127.773 2.429 . . . . 10.0 113.53 -178.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.497 ' H ' ' C ' ' A' ' 61' ' ' ASP . 97.3 mt -138.63 7.25 2.53 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 128.733 2.813 . . . . 10.0 112.306 -173.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.3 t -125.88 156.43 39.65 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.903 0.881 . . . . 10.0 111.682 169.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -140.59 94.64 2.75 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 126.905 2.082 . . . . 10.0 108.118 -174.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.86 178.51 7.27 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.704 1.201 . . . . 10.0 111.819 173.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -85.42 145.01 41.4 Favored Pre-proline 0 CA--C 1.546 0.814 0 O-C-N 120.881 -1.137 . . . . 10.0 112.05 -169.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -73.07 61.45 3.96 Favored 'Trans proline' 0 CA--C 1.543 0.933 1 C-N-CA 125.863 4.376 . . . . 10.0 112.79 -173.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 166.86 -10.3 0.06 OUTLIER Glycine 0 CA--C 1.536 1.401 0 C-N-CA 126.645 2.069 . . . . 10.0 114.034 -175.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.2 tt -57.98 -26.03 27.59 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 CA-C-N 119.431 1.615 . . . . 10.0 114.54 -173.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 96.9 t -76.85 -53.65 14.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 125.387 1.475 . . . . 10.0 110.477 171.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -53.11 -36.15 60.44 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.13 1.372 . . . . 10.0 111.721 177.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -63.65 -37.28 86.73 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 122.975 0.51 . . . . 10.0 111.625 171.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.23 -42.2 75.99 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 119.122 0.874 . . . . 10.0 111.006 178.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.5 t -70.36 -42.99 78.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-O 118.927 -0.559 . . . . 10.0 110.625 179.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -58.7 -42.07 87.78 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.283 1.433 . . . . 10.0 111.738 171.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.92 -41.87 99.61 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 118.82 -0.61 . . . . 10.0 111.246 174.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.5 -45.17 88.43 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.208 0.913 . . . . 10.0 112.704 173.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -63.4 -43.66 96.89 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.305 0.957 . . . . 10.0 111.696 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -72.39 -37.26 68.75 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.108 0.963 . . . . 10.0 112.6 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.9 t -63.11 -43.69 97.73 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 119.153 -0.451 . . . . 10.0 110.165 172.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.5 tp -64.47 -47.12 80.17 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 118.115 0.416 . . . . 10.0 112.071 176.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -59.56 -41.53 90.35 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 119.197 -0.43 . . . . 10.0 111.383 177.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.4 t -72.22 -22.45 61.26 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 113.272 0.841 . . . . 10.0 113.272 175.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -80.98 -41.9 22.05 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.835 1.254 . . . . 10.0 112.907 178.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.6 mm? . . . . . 0 C--N 1.35 0.594 0 CA-C-N 118.856 0.753 . . . . 10.0 110.84 169.087 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.8 mt . . . . . 0 CA--C 1.534 0.329 0 CA-C-O 121.006 0.431 . . . . 10.0 111.402 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.0 p -130.17 178.8 6.29 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 126.637 1.975 . . . . 10.0 109.754 177.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -48.01 -29.77 3.76 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.625 1.17 . . . . 10.0 113.493 174.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.19 -49.85 5.73 Favored Glycine 0 CA--C 1.532 1.13 0 CA-C-N 118.797 0.726 . . . . 10.0 113.406 176.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.62 -42.17 98.21 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.012 0.925 . . . . 10.0 111.01 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.6 mt -68.33 -35.19 77.41 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 118.365 -0.826 . . . . 10.0 111.432 176.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . 0.269 14.5 t0 -70.15 -35.71 74.22 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 114.548 1.314 . . . . 10.0 114.548 170.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -54.72 -42.86 72.05 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 120.277 1.399 . . . . 10.0 109.729 169.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.4 mt -64.89 -46.38 91.97 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 CA-C-O 118.318 -0.849 . . . . 10.0 111.414 172.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -43.17 89.25 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 120.625 1.557 . . . . 10.0 111.35 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.4 t -68.81 -37.47 79.24 Favored 'General case' 0 C--N 1.339 0.109 0 CA-C-O 118.026 -0.988 . . . . 10.0 111.829 175.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -60.68 -42.46 97.16 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.526 1.057 . . . . 10.0 111.688 176.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -72.96 -41.8 64.05 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 118.286 -0.864 . . . . 10.0 112.92 175.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -56.41 -47.87 78.13 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.335 0.97 . . . . 10.0 111.282 174.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -63.63 -38.47 91.25 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.246 0.618 . . . . 10.0 111.906 175.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 91.6 m -62.16 -46.46 88.86 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 119.363 0.983 . . . . 10.0 111.567 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 57.4 mt -69.63 -43.11 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 CA-C-N 118.361 0.528 . . . . 10.0 110.601 177.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 t -56.99 -50.7 71.91 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.075 0.55 . . . . 10.0 111.728 176.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.82 -38.97 87.26 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 118.175 -0.917 . . . . 10.0 113.278 173.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -61.53 -45.62 93.39 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 120.039 1.291 . . . . 10.0 111.119 175.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 70.0 mt -64.24 -53.13 47.15 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 123.962 0.905 . . . . 10.0 109.273 178.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.43 -19.41 64.68 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 113.878 1.066 . . . . 10.0 113.878 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -100.11 0.93 41.68 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.351 1.061 . . . . 10.0 112.989 175.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 47.6 mtt180 -116.12 -34.35 4.73 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.974 1.472 . . . . 10.0 114.974 169.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.9 p -138.22 140.14 40.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 124.912 1.285 . . . . 10.0 109.798 -174.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.1 t -78.92 135.96 37.12 Favored 'General case' 0 C--O 1.225 -0.217 0 O-C-N 121.515 -0.74 . . . . 10.0 110.956 -176.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.41 -25.13 3.57 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.642 1.177 . . . . 10.0 113.488 169.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -61.3 -20.23 62.67 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.992 1.108 . . . . 10.0 113.992 171.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -95.6 -13.37 24.44 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.457 1.903 . . . . 10.0 111.498 176.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.9 mm -106.6 123.86 61.77 Favored 'Isoleucine or valine' 0 C--N 1.343 0.289 0 C-N-CA 125.319 1.448 . . . . 10.0 110.198 -168.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 38.2 t -70.64 -51.88 33.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 C-N-CA 124.111 0.964 . . . . 10.0 109.477 169.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -165.96 177.16 7.26 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.493 0.717 . . . . 10.0 112.321 175.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.8 pt -132.27 142.71 42.0 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 125.165 1.386 . . . . 10.0 111.233 170.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -113.53 121.71 45.07 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 107.656 -1.239 . . . . 10.0 107.656 167.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.2 mt -131.21 120.23 46.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 108.219 -1.03 . . . . 10.0 108.219 174.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 86.1 m -119.77 124.87 47.23 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 124.79 1.236 . . . . 10.0 108.836 176.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.7 t -111.55 117.92 56.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 N-CA-C 106.566 -1.642 . . . . 10.0 106.566 170.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.0 mt -102.97 139.12 38.95 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 125.222 1.409 . . . . 10.0 108.163 174.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.9 p -139.08 139.4 40.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 108.309 -0.997 . . . . 10.0 108.309 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -148.75 153.57 38.36 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.924 0.89 . . . . 10.0 110.282 -169.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -133.48 102.48 5.53 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 121.433 0.635 . . . . 10.0 109.956 170.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.2 t -131.14 80.92 1.96 Allowed 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.727 1.211 . . . . 10.0 108.589 -178.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.9 t70 65.29 -39.55 0.28 Allowed 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 127.813 2.445 . . . . 10.0 113.247 -167.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -111.13 159.62 17.67 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 127.563 2.345 . . . . 10.0 111.064 168.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -85.44 129.0 34.91 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.762 1.225 . . . . 10.0 108.433 171.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -122.69 147.15 46.8 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.464 0.65 . . . . 10.0 111.148 169.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.5 p -136.13 132.72 50.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 126.033 1.733 . . . . 10.0 107.278 169.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -138.87 130.44 27.38 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.996 1.318 . . . . 10.0 107.509 -169.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.2 mt -126.29 131.6 71.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 123.034 0.534 . . . . 10.0 109.642 -169.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.4 t -131.44 126.56 35.4 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 125.144 1.378 . . . . 10.0 109.173 175.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.12 149.56 52.54 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.866 0.867 . . . . 10.0 111.164 177.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.26 146.67 40.7 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.626 1.57 . . . . 10.0 110.185 175.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 35.2 tp -127.94 104.24 7.69 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 125.82 1.648 . . . . 10.0 109.2 -172.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -91.48 104.67 17.15 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.286 -1.005 . . . . 10.0 108.286 -178.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.4 mt -82.01 151.75 26.99 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 124.995 1.318 . . . . 10.0 110.027 175.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.511 ' C ' ' H ' ' A' ' 63' ' ' LEU . 25.9 t0 -62.38 147.12 49.44 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.7 -0.682 . . . . 10.0 110.728 168.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -70.43 25.37 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 126.048 1.739 . . . . 10.0 113.088 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.511 ' H ' ' C ' ' A' ' 61' ' ' ASP . 1.0 OUTLIER -152.8 7.61 0.42 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 129.135 2.974 . . . . 10.0 111.776 -171.532 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.4 m -132.37 149.46 52.35 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.678 1.591 . . . . 10.0 111.342 -178.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -144.1 94.57 2.6 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.414 1.086 . . . . 10.0 110.366 -169.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.57 -171.53 3.68 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.922 1.289 . . . . 10.0 111.613 168.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -85.36 142.26 37.68 Favored Pre-proline 0 CA--C 1.547 0.858 0 O-C-N 120.589 -1.319 . . . . 10.0 112.041 -169.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -74.12 57.84 4.09 Favored 'Trans proline' 0 CA--C 1.544 1.007 1 C-N-CA 125.8 4.333 . . . . 10.0 113.049 -173.148 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 171.15 -10.88 0.04 OUTLIER Glycine 0 CA--C 1.536 1.349 0 C-N-CA 126.461 1.982 . . . . 10.0 114.34 -176.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.2 tt -53.64 -30.54 18.64 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 C-N-CA 125.568 1.547 . . . . 10.0 114.502 -172.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.8 t -75.17 -54.0 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.752 1.221 . . . . 10.0 110.439 177.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -58.34 -41.04 83.74 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.542 1.137 . . . . 10.0 111.347 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -63.93 -31.63 72.88 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 118.559 -0.734 . . . . 10.0 112.32 172.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.54 -40.41 85.01 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.88 1.218 . . . . 10.0 111.241 174.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.6 t -73.21 -43.07 57.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 118.372 -0.823 . . . . 10.0 110.839 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -58.74 -39.03 79.73 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 119.665 1.12 . . . . 10.0 110.662 169.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.83 -41.11 99.19 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 120.394 1.452 . . . . 10.0 111.222 175.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.96 -45.09 96.12 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.947 0.794 . . . . 10.0 112.772 170.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -63.5 -43.03 98.41 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.403 1.001 . . . . 10.0 112.305 177.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.1 mmp_? -67.34 -43.25 82.0 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.073 1.749 . . . . 10.0 111.52 177.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 37.6 m -63.14 -45.59 91.23 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-O 118.322 -0.847 . . . . 10.0 110.059 174.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.4 tp -63.35 -41.38 98.86 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-N 118.685 0.675 . . . . 10.0 112.304 178.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -59.35 -41.53 89.43 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.846 0.858 . . . . 10.0 110.862 173.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 29.9 p -69.22 -31.72 70.49 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.25 0.833 . . . . 10.0 113.25 176.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -80.96 -42.23 21.59 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.449 1.1 . . . . 10.0 112.431 -178.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 N--CA 1.467 0.391 0 C-N-CA 123.788 0.835 . . . . 10.0 111.546 175.023 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 N--CA 1.455 -0.209 0 CA-C-O 121.258 0.551 . . . . 10.0 110.765 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.9 t -141.27 -171.16 3.23 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.509 1.524 . . . . 10.0 109.488 173.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -50.32 -39.5 46.03 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.734 1.214 . . . . 10.0 112.166 -173.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.26 -46.69 93.4 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 123.837 0.732 . . . . 10.0 114.189 177.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.82 -44.0 94.55 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.803 1.301 . . . . 10.0 110.514 176.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.7 mp -66.01 -36.69 83.96 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.076 0.95 . . . . 10.0 113.263 176.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -66.84 -44.18 81.74 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.279 1.032 . . . . 10.0 111.562 170.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -62.01 -44.09 97.45 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 118.967 0.803 . . . . 10.0 111.541 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -64.75 -43.03 96.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 123.233 0.613 . . . . 10.0 110.721 173.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.4 m -61.33 -37.4 83.12 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 121.642 -0.661 . . . . 10.0 112.149 176.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.7 t -68.31 -43.94 76.52 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-O 117.86 -1.067 . . . . 10.0 110.841 171.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -56.94 -38.92 73.58 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 120.48 1.491 . . . . 10.0 111.974 177.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.3 mt -65.5 -51.45 59.93 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.68 0.792 . . . . 10.0 112.044 171.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -59.63 -46.36 89.24 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.918 0.781 . . . . 10.0 112.25 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -60.66 -42.41 96.97 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.061 1.344 . . . . 10.0 110.825 174.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.6 m -61.01 -47.31 87.05 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.209 0.913 . . . . 10.0 110.465 178.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.7 mt -62.79 -49.39 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-N 118.314 0.506 . . . . 10.0 110.465 176.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.2 t -59.05 -47.1 86.45 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.211 0.604 . . . . 10.0 112.186 -177.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -65.32 -38.48 90.3 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.736 -0.602 . . . . 10.0 111.943 176.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -66.85 -37.69 84.93 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.313 -0.867 . . . . 10.0 111.989 175.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.6 mt -62.2 -52.98 53.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 CA-C-O 118.267 -0.873 . . . . 10.0 109.071 171.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.1 mp -59.02 -30.44 68.01 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 113.602 0.964 . . . . 10.0 113.602 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.12 -17.62 52.05 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.763 1.023 . . . . 10.0 113.763 173.245 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -100.32 -31.21 11.45 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 114.344 1.238 . . . . 10.0 114.344 177.283 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 38.6 t -145.52 139.34 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 126.552 1.941 . . . . 10.0 108.972 -175.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.4 t -76.48 136.39 39.38 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 113.822 1.045 . . . . 10.0 113.822 -176.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.91 -24.62 3.74 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 123.908 0.883 . . . . 10.0 112.404 165.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -70.57 -22.63 62.56 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 114.71 1.374 . . . . 10.0 114.71 173.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -113.03 -11.47 13.36 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 119.701 1.137 . . . . 10.0 112.745 -177.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.1 mt -85.76 128.03 39.6 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 126.545 1.938 . . . . 10.0 108.301 168.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.6 t -73.49 -49.17 38.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 123.851 0.86 . . . . 10.0 109.568 168.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -161.84 174.89 12.53 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 121.706 0.765 . . . . 10.0 112.747 172.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 pp -130.56 143.24 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 C-N-CA 125.21 1.404 . . . . 10.0 110.559 169.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -119.16 127.97 53.82 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 106.318 -1.734 . . . . 10.0 106.318 168.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 62.3 mt -131.31 126.52 58.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 N-CA-C 107.317 -1.364 . . . . 10.0 107.317 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 94.7 m -118.95 117.58 29.21 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 107.744 -1.206 . . . . 10.0 107.744 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.6 t -115.69 123.05 70.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 N-CA-C 107.394 -1.335 . . . . 10.0 107.394 169.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.8 mt -117.77 138.25 52.18 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 124.072 0.949 . . . . 10.0 108.542 171.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.6 p -139.57 131.08 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 C-N-CA 124.114 0.966 . . . . 10.0 108.673 -179.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -147.28 159.77 43.28 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.961 0.905 . . . . 10.0 110.348 -169.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -135.82 113.34 10.81 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.422 0.689 . . . . 10.0 109.746 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 98.6 m -131.86 86.46 2.34 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 120.966 -1.084 . . . . 10.0 109.946 171.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.3 t70 64.6 -36.26 0.19 Allowed 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 127.289 2.235 . . . . 10.0 113.728 -168.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -119.8 156.15 31.18 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 128.099 2.56 . . . . 10.0 110.347 169.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 53.7 tp -85.35 129.3 34.84 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 126.351 1.861 . . . . 10.0 110.503 177.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -126.65 147.3 49.93 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.769 0.795 . . . . 10.0 111.213 168.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 8.9 p -136.11 141.8 40.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 C-N-CA 125.415 1.486 . . . . 10.0 107.975 172.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -141.35 125.81 17.7 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.479 1.512 . . . . 10.0 108.8 -166.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.8 mt -132.19 132.53 60.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 123.474 0.71 . . . . 10.0 111.577 -169.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.4 t -130.37 139.91 50.63 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.351 1.461 . . . . 10.0 108.944 167.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.43 143.36 50.39 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.284 0.633 . . . . 10.0 110.496 169.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -131.49 136.61 48.04 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.845 1.658 . . . . 10.0 109.503 -173.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -115.02 122.39 46.06 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 125.492 1.517 . . . . 10.0 108.731 -177.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -114.09 102.78 10.49 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 107.851 -1.166 . . . . 10.0 107.851 172.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -82.4 152.09 26.33 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 126.243 1.817 . . . . 10.0 111.615 177.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.495 ' C ' ' H ' ' A' ' 63' ' ' LEU . 32.5 t0 -58.46 147.29 32.19 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 112.176 0.436 . . . . 10.0 112.176 168.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.48 25.2 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 128.545 2.738 . . . . 10.0 113.671 -178.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.495 ' H ' ' C ' ' A' ' 61' ' ' ASP . 28.4 tp -145.01 1.59 0.99 Allowed 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 129.033 2.933 . . . . 10.0 111.259 -173.194 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.7 m -129.1 155.91 44.71 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.089 1.356 . . . . 10.0 111.775 -169.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -151.56 94.84 2.05 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.542 1.137 . . . . 10.0 109.507 -171.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.66 -173.24 3.7 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.764 1.626 . . . . 10.0 113.038 178.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -85.46 141.58 36.81 Favored Pre-proline 0 CA--C 1.546 0.825 0 O-C-N 120.771 -1.205 . . . . 10.0 110.275 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -73.89 50.54 2.15 Favored 'Trans proline' 0 CA--C 1.548 1.191 1 C-N-CA 125.879 4.386 . . . . 10.0 113.053 -177.474 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 177.74 4.62 0.02 OUTLIER Glycine 0 CA--C 1.542 1.779 0 C-N-CA 127.771 2.605 . . . . 10.0 114.705 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.2 tt -62.82 -25.31 38.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 CA-C-N 119.472 1.636 . . . . 10.0 114.354 -169.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.4 p -86.14 -37.13 11.38 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.209 0 C-N-CA 124.338 1.055 . . . . 10.0 112.613 176.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.65 -36.18 61.8 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.878 1.271 . . . . 10.0 110.723 173.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -63.65 -40.93 98.1 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.746 0.819 . . . . 10.0 111.478 172.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.13 -42.39 80.24 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.942 0.792 . . . . 10.0 111.943 177.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.8 t -69.71 -45.25 78.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 CA-C-N 118.279 0.491 . . . . 10.0 110.952 -179.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -58.67 -40.12 82.61 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.622 1.169 . . . . 10.0 111.002 172.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.51 94.77 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 120.916 -1.115 . . . . 10.0 112.822 172.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.07 -42.72 96.88 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.434 1.016 . . . . 10.0 112.318 172.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -62.78 -43.21 99.4 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.791 -0.568 . . . . 10.0 112.011 174.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -72.29 -38.9 68.64 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 118.364 -0.827 . . . . 10.0 112.824 178.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.6 p -63.2 -40.62 98.03 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 119.266 0.939 . . . . 10.0 110.909 174.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 29.9 tp -64.03 -47.05 81.74 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 118.837 -0.601 . . . . 10.0 112.089 174.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -64.66 -41.29 96.19 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 118.881 0.764 . . . . 10.0 111.5 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.6 t -72.12 -19.26 61.82 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.472 0.916 . . . . 10.0 113.472 176.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -81.12 -42.39 21.02 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.38 1.072 . . . . 10.0 111.097 169.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 N--CA 1.47 0.55 0 C-N-CA 124.457 1.103 . . . . 10.0 113.515 175.259 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.3 mt . . . . . 0 CA--C 1.534 0.336 0 N-CA-C 110.258 -0.275 . . . . 10.0 110.258 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.4 ' C ' ' H ' ' A' ' 9' ' ' GLY . 11.2 t -148.74 -166.98 2.7 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.781 0.832 . . . . 10.0 110.79 -178.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -59.11 23.61 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 130.851 3.66 . . . . 10.0 115.818 -176.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.4 ' H ' ' C ' ' A' ' 7' ' ' THR . . . -142.46 -49.04 0.04 OUTLIER Glycine 0 CA--C 1.526 0.779 0 C-N-CA 125.736 1.636 . . . . 10.0 111.145 171.183 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.14 -42.54 75.84 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.409 1.484 . . . . 10.0 111.328 179.133 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.9 mt -69.91 -31.99 70.06 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.068 0.947 . . . . 10.0 112.151 170.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -67.82 -41.09 83.6 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 122.995 0.518 . . . . 10.0 111.635 174.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -61.93 -39.2 91.23 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.146 -0.971 . . . . 10.0 112.423 172.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 78.8 mt -64.93 -43.78 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 121.402 -0.811 . . . . 10.0 110.444 172.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.9 m -61.07 -40.97 95.71 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.715 0.806 . . . . 10.0 111.572 176.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.3 t -63.31 -43.88 96.58 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 125.734 1.614 . . . . 10.0 111.593 172.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -58.38 -42.49 87.18 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.776 0.716 . . . . 10.0 111.933 173.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.95 -51.14 68.06 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.514 0.597 . . . . 10.0 111.835 174.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -59.35 -44.03 92.72 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.37 0.668 . . . . 10.0 112.177 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -64.46 -40.1 95.07 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 118.685 -0.674 . . . . 10.0 111.479 173.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.3 m -61.16 -47.22 87.19 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.423 1.01 . . . . 10.0 111.83 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 39.3 mt -61.16 -44.75 98.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 CA-C-N 118.554 0.615 . . . . 10.0 110.209 174.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.8 m -60.44 -50.99 71.38 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.631 0.773 . . . . 10.0 111.729 -178.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -58.76 -38.57 78.78 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 115.686 1.736 . . . . 10.0 115.686 169.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -64.46 -45.89 85.47 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.283 0.947 . . . . 10.0 110.286 177.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.5 mt -61.6 -49.43 84.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 124.559 1.143 . . . . 10.0 110.38 176.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.9 -10.67 14.28 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 114.309 1.226 . . . . 10.0 114.309 176.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.2 mtmm -118.24 14.77 13.95 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.118 1.367 . . . . 10.0 112.413 172.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.67 -38.67 3.43 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 126.994 2.118 . . . . 10.0 113.226 169.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.0 p -146.43 151.64 14.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.798 1.239 . . . . 10.0 110.879 -175.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.3 t -80.51 124.13 28.68 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 121.563 -0.711 . . . . 10.0 111.774 -174.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.84 -24.84 3.83 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.28 1.432 . . . . 10.0 113.705 169.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -58.15 -19.79 35.68 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 113.992 1.108 . . . . 10.0 113.992 170.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -102.98 -8.65 20.47 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.894 1.677 . . . . 10.0 112.197 178.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.6 mm -97.39 119.82 45.93 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 C-N-CA 124.723 1.209 . . . . 10.0 108.771 -172.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.5 t -68.91 -50.12 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 C-N-CA 124.352 1.061 . . . . 10.0 109.271 170.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -164.03 177.05 8.77 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.389 0.885 . . . . 10.0 113.389 171.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.1 pt -131.2 142.53 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 125.55 1.54 . . . . 10.0 110.364 169.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -129.1 117.76 21.37 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 124.321 1.049 . . . . 10.0 109.095 173.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.3 mt -128.58 126.36 65.21 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 N-CA-C 107.828 -1.175 . . . . 10.0 107.828 -174.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 53.6 m -119.6 117.6 28.76 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 125.171 1.388 . . . . 10.0 107.682 178.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 m -115.77 120.21 64.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 126.475 1.91 . . . . 10.0 108.161 177.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.0 mp -117.64 138.84 51.69 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 124.533 1.133 . . . . 10.0 108.592 176.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.8 p -139.77 134.68 38.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 123.725 0.81 . . . . 10.0 108.948 172.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -145.98 156.37 43.45 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.718 1.207 . . . . 10.0 109.538 -174.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -130.42 108.36 9.91 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 109.453 -0.573 . . . . 10.0 109.453 174.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.8 t -131.26 80.69 1.95 Allowed 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.615 1.166 . . . . 10.0 108.525 -179.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.6 t70 62.65 -37.26 0.14 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 128.128 2.571 . . . . 10.0 113.785 -167.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -120.23 159.88 24.07 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 128.802 2.841 . . . . 10.0 109.841 171.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 63.0 tp -85.05 129.3 34.82 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.535 1.534 . . . . 10.0 110.096 -177.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -116.63 130.73 56.91 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.444 1.098 . . . . 10.0 109.104 172.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.9 p -136.25 124.65 36.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 C-N-CA 124.575 1.15 . . . . 10.0 108.692 171.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -135.02 133.53 39.51 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 124.46 1.104 . . . . 10.0 109.634 -167.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 38.2 mt -132.04 127.17 57.66 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.116 0 C-N-CA 123.981 0.912 . . . . 10.0 108.831 -169.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.8 m -131.87 133.03 44.17 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 123.705 0.802 . . . . 10.0 109.832 168.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.21 142.08 50.13 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.654 0.781 . . . . 10.0 110.512 176.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -131.4 139.67 49.49 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.787 1.635 . . . . 10.0 109.396 172.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.7 tp -128.06 115.2 18.09 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 126.33 1.852 . . . . 10.0 108.007 -170.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -107.37 110.08 21.97 Favored 'General case' 0 CA--C 1.528 0.105 0 N-CA-C 109.643 -0.503 . . . . 10.0 109.643 -172.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -82.22 151.95 26.63 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 126.596 1.959 . . . . 10.0 110.941 176.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.502 ' C ' ' H ' ' A' ' 63' ' ' LEU . 34.2 t0 -61.38 147.53 44.58 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.245 167.126 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -64.9 29.29 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 127.439 2.296 . . . . 10.0 113.139 177.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.502 ' H ' ' C ' ' A' ' 61' ' ' ASP . 8.0 tp -150.74 2.78 0.46 Allowed 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 128.618 2.767 . . . . 10.0 112.602 -172.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.8 t -141.59 164.39 30.33 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 119.707 1.14 . . . . 10.0 112.142 171.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -145.48 94.72 2.55 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 127.036 2.134 . . . . 10.0 109.005 -169.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.89 174.81 2.77 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.482 0.713 . . . . 10.0 112.262 169.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -85.29 142.67 38.23 Favored Pre-proline 0 CA--C 1.546 0.79 0 O-C-N 120.912 -1.118 . . . . 10.0 112.026 -168.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -73.99 58.88 4.27 Favored 'Trans proline' 0 CA--C 1.544 1.021 1 C-N-CA 125.842 4.361 . . . . 10.0 113.258 -170.248 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 172.27 -11.66 0.04 OUTLIER Glycine 0 CA--C 1.536 1.384 0 C-N-CA 126.593 2.044 . . . . 10.0 114.132 -178.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.5 tt -55.28 -28.61 21.99 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 C-N-CA 125.721 1.608 . . . . 10.0 114.745 -173.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 79.5 t -80.1 -49.34 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 126.116 1.766 . . . . 10.0 111.292 176.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -57.13 -38.0 72.83 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.536 1.135 . . . . 10.0 111.262 174.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -63.84 -39.72 94.88 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 118.808 -0.615 . . . . 10.0 111.523 170.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.93 -41.17 87.47 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 119.62 1.1 . . . . 10.0 111.674 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 45.9 t -65.51 -50.76 70.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 125.23 1.412 . . . . 10.0 110.659 177.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -58.68 -39.08 79.66 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 119.202 0.91 . . . . 10.0 112.018 171.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.27 -38.13 89.97 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 119.49 1.041 . . . . 10.0 111.397 176.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.08 -43.56 91.78 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 118.641 0.655 . . . . 10.0 112.134 169.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -62.72 -43.4 98.91 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 119.213 0.915 . . . . 10.0 113.195 176.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.433 HH21 ' CD ' ' A' ' 83' ' ' GLU . 2.8 mtp180 -71.88 -34.69 69.38 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.653 0.781 . . . . 10.0 110.854 177.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.9 m -63.49 -39.19 93.79 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.772 -0.58 . . . . 10.0 111.552 170.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.0 tp -66.02 -42.5 89.55 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 123.522 0.729 . . . . 10.0 112.096 173.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.433 ' CD ' HH21 ' A' ' 80' ' ' ARG . 80.6 tt0 -59.5 -41.29 89.55 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.352 0.661 . . . . 10.0 111.195 175.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.8 m -71.75 -29.3 64.36 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.49 0.922 . . . . 10.0 113.49 170.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -67.18 -42.45 84.21 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.224 -0.923 . . . . 10.0 110.762 176.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.4 mm? . . . . . 0 N--CA 1.471 0.599 0 CA-C-N 119.763 1.165 . . . . 10.0 112.303 174.08 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 CA--C 1.533 0.29 0 N-CA-C 108.68 -0.859 . . . . 10.0 108.68 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.3 t -149.32 175.16 11.67 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 125.77 1.628 . . . . 10.0 109.588 -169.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -61.9 41.22 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 129.973 3.309 . . . . 10.0 114.044 173.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.62 -58.68 0.01 OUTLIER Glycine 0 CA--C 1.528 0.905 0 C-N-CA 128.282 2.848 . . . . 10.0 109.214 176.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.01 -44.47 96.64 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 117.83 0.815 . . . . 10.0 111.782 173.013 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.4 mt -67.1 -41.23 86.6 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.025 0.53 . . . . 10.0 111.433 179.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -70.21 -35.87 74.19 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 114.394 1.257 . . . . 10.0 114.394 174.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -54.83 -43.33 72.9 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.677 1.126 . . . . 10.0 110.503 169.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 92.2 mt -65.18 -42.61 94.62 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 C-N-CA 123.342 0.657 . . . . 10.0 111.689 172.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.72 -43.28 90.09 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 119.565 1.075 . . . . 10.0 111.18 176.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.9 t -67.56 -43.87 79.62 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 125.192 1.397 . . . . 10.0 111.553 177.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -59.72 -42.62 93.48 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 118.601 0.637 . . . . 10.0 111.841 175.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.6 mt -68.54 -44.8 73.79 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.266 0.626 . . . . 10.0 111.898 176.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -58.62 -49.18 78.43 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.374 0.534 . . . . 10.0 111.29 175.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -60.7 -39.4 88.4 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-O 118.588 -0.72 . . . . 10.0 112.029 173.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.8 m -61.02 -42.8 99.15 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.715 1.143 . . . . 10.0 111.264 -178.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.5 mt -70.44 -47.31 66.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 CA-C-N 118.294 0.497 . . . . 10.0 110.971 172.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.1 t -60.78 -48.17 83.01 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.205 0.602 . . . . 10.0 112.073 -175.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -66.63 -33.68 76.19 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.459 1.104 . . . . 10.0 112.457 175.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -62.64 -45.92 90.6 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 119.683 1.129 . . . . 10.0 110.427 171.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.0 mt -63.63 -50.03 79.84 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 123.987 0.915 . . . . 10.0 110.271 178.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -59.01 -18.97 39.34 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.031 1.332 . . . . 10.0 113.743 178.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -112.66 9.67 19.31 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.55 1.14 . . . . 10.0 112.462 176.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.69 -38.78 4.19 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.553 1.941 . . . . 10.0 112.461 169.031 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.7 t -142.06 146.68 22.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 125.63 1.572 . . . . 10.0 109.639 -177.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.1 t -79.84 136.31 36.67 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 114.934 1.457 . . . . 10.0 114.934 -168.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.69 -24.82 9.32 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 120.975 -1.078 . . . . 10.0 113.232 167.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -71.21 -22.7 61.98 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.918 1.081 . . . . 10.0 113.918 173.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -113.97 2.82 15.14 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.063 0.945 . . . . 10.0 112.466 -177.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 73.5 mt -99.14 125.82 52.56 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 126.434 1.894 . . . . 10.0 107.728 172.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.5 t -71.32 -53.32 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 C-N-CA 124.289 1.036 . . . . 10.0 109.069 169.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -164.44 177.06 8.47 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.667 0.787 . . . . 10.0 112.162 172.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.9 pt -134.0 129.62 54.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 125.484 1.514 . . . . 10.0 111.048 174.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -97.27 119.76 36.39 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 107.842 -1.17 . . . . 10.0 107.842 168.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 87.2 mt -131.18 121.08 48.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 N-CA-C 108.683 -0.858 . . . . 10.0 108.683 172.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 71.5 m -119.74 117.89 29.42 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 125.112 1.365 . . . . 10.0 108.383 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.4 t -115.7 120.15 63.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 124.475 1.11 . . . . 10.0 108.838 172.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.4 mp -117.71 139.32 51.19 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.819 1.647 . . . . 10.0 109.089 175.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.9 p -136.78 137.25 47.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 O-C-N 121.559 -0.713 . . . . 10.0 109.194 176.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -149.9 152.08 34.48 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.492 1.117 . . . . 10.0 109.793 -168.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -139.0 101.74 4.36 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 106.83 -1.545 . . . . 10.0 106.83 178.292 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -130.82 81.53 2.0 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 126.264 1.825 . . . . 10.0 107.565 -169.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.5 t70 68.92 -34.82 0.28 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 127.655 2.382 . . . . 10.0 112.503 -167.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -133.94 159.81 39.61 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.257 1.823 . . . . 10.0 110.234 169.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 40.4 tp -85.03 128.91 34.83 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.423 1.489 . . . . 10.0 109.381 -177.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -135.88 147.44 48.19 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 122.231 1.015 . . . . 10.0 111.428 174.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.0 p -136.16 133.12 50.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 125.199 1.399 . . . . 10.0 108.345 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -117.94 129.18 55.46 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 126.078 1.751 . . . . 10.0 107.449 -174.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 31.7 mt -130.15 127.34 63.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 N-CA-C 108.177 -1.046 . . . . 10.0 108.177 178.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.0 m -131.87 133.98 45.22 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 123.718 0.807 . . . . 10.0 109.997 168.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.26 145.92 52.1 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.034 0.934 . . . . 10.0 110.829 174.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.76 147.37 39.01 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.489 1.515 . . . . 10.0 110.202 174.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 68.0 tp -127.97 104.22 7.68 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 125.485 1.514 . . . . 10.0 110.393 -169.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -94.02 102.96 15.05 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 108.785 -0.82 . . . . 10.0 108.785 -178.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 77.1 mt -87.45 152.07 22.53 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 125.318 1.447 . . . . 10.0 112.356 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -59.63 147.11 38.55 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.502 -0.772 . . . . 10.0 110.742 169.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -72.58 36.41 0.07 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.296 1.839 . . . . 10.0 113.715 -175.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.0 tt -146.97 -37.94 0.21 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 127.098 2.159 . . . . 10.0 111.182 -169.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.9 m -86.99 159.24 19.06 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.555 0.742 . . . . 10.0 112.465 175.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -150.07 94.76 2.19 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.168 1.387 . . . . 10.0 108.493 -174.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.7 -178.03 6.89 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.048 1.339 . . . . 10.0 112.579 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -85.36 143.2 38.69 Favored Pre-proline 0 CA--C 1.548 0.877 0 O-C-N 120.822 -1.173 . . . . 10.0 112.169 -168.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -74.23 58.35 4.3 Favored 'Trans proline' 0 CA--C 1.544 1.014 1 C-N-CA 125.886 4.391 . . . . 10.0 113.726 -169.611 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 177.75 -19.78 0.04 OUTLIER Glycine 0 CA--C 1.534 1.251 0 C-N-CA 126.356 1.932 . . . . 10.0 113.711 -178.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.2 tt -53.33 -24.5 8.61 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 N-CA-C 116.213 1.931 . . . . 10.0 116.213 -169.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 92.1 t -79.31 -56.98 5.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 125.005 1.322 . . . . 10.0 110.765 173.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -55.79 -36.21 67.15 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.708 1.203 . . . . 10.0 111.502 176.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -63.82 -32.01 73.37 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.793 0.837 . . . . 10.0 112.138 172.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.94 -40.73 78.82 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 119.333 0.97 . . . . 10.0 111.137 174.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.6 t -69.86 -43.05 79.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 122.647 0.379 . . . . 10.0 110.641 178.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -58.69 -41.26 85.82 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.601 1.56 . . . . 10.0 111.541 172.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.97 -42.07 99.72 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-O 118.962 -0.542 . . . . 10.0 111.832 172.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.06 -43.57 98.55 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.106 0.866 . . . . 10.0 112.63 172.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -63.83 -43.22 96.84 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.852 0.751 . . . . 10.0 112.017 177.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 58.8 mtt-85 -72.55 -33.92 67.15 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 118.96 0.8 . . . . 10.0 112.592 178.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.9 t -63.05 -43.7 97.88 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-O 118.533 -0.746 . . . . 10.0 110.109 170.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 23.8 tp -62.65 -44.25 96.75 Favored 'General case' 0 C--N 1.343 0.296 0 CA-C-O 118.282 -0.866 . . . . 10.0 112.739 174.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -58.74 -41.5 86.6 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 118.98 0.809 . . . . 10.0 111.579 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . 0.332 38.6 m -90.07 -17.65 27.36 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 114.696 1.369 . . . . 10.0 114.696 178.513 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -64.46 -42.31 96.01 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 107.286 -1.376 . . . . 10.0 107.286 164.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.4 mm? . . . . . 0 N--CA 1.469 0.517 0 C-N-CA 124.992 1.317 . . . . 10.0 113.788 173.672 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 mp . . . . . 0 CA--C 1.536 0.433 0 N-CA-C 109.676 -0.491 . . . . 10.0 109.676 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.3 t -132.59 -176.07 3.97 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.8 0.84 . . . . 10.0 109.674 170.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -46.68 -39.77 12.0 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.224 1.409 . . . . 10.0 113.218 -172.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.45 -56.41 19.93 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 123.815 0.721 . . . . 10.0 113.386 175.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.82 -37.32 86.95 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.084 0.954 . . . . 10.0 111.675 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.9 mt -69.7 -37.42 76.58 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.204 1.002 . . . . 10.0 112.034 177.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -67.2 -42.68 83.76 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.899 0.772 . . . . 10.0 111.408 169.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -63.44 -38.64 91.92 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.382 0.992 . . . . 10.0 112.938 174.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 52.1 mt -64.94 -43.61 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 O-C-N 121.129 -0.982 . . . . 10.0 110.392 171.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.4 m -61.16 -41.19 96.32 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.404 0.682 . . . . 10.0 111.398 175.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.9 t -63.27 -43.91 96.6 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.211 1.404 . . . . 10.0 111.915 172.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -61.21 -41.02 96.12 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.099 0.96 . . . . 10.0 112.066 174.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.2 mt -62.37 -51.38 67.81 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.569 0.748 . . . . 10.0 111.683 172.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.9 t-160 -58.94 -47.72 84.07 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 118.325 0.511 . . . . 10.0 111.673 179.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -62.71 -37.15 85.36 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 118.684 -0.674 . . . . 10.0 111.932 175.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.9 m -61.14 -46.2 91.54 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.526 1.057 . . . . 10.0 111.232 176.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 52.4 mt -65.97 -45.73 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 CA-C-N 118.516 0.598 . . . . 10.0 110.591 175.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.8 t -56.47 -51.14 69.57 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.33 0.652 . . . . 10.0 112.077 177.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.93 -39.0 87.79 Favored 'General case' 0 C--N 1.342 0.25 0 N-CA-C 113.871 1.063 . . . . 10.0 113.871 172.11 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -65.47 -45.57 83.19 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.997 1.271 . . . . 10.0 110.704 179.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.8 mt -59.82 -53.12 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-O 117.879 -1.058 . . . . 10.0 109.354 174.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.02 -24.46 67.93 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.795 1.179 . . . . 10.0 114.068 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -91.83 1.98 56.81 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.737 1.215 . . . . 10.0 112.696 174.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -119.32 -30.9 4.8 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.248 1.419 . . . . 10.0 114.321 173.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.5 p -151.44 154.09 8.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 127.673 2.389 . . . . 10.0 109.34 177.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.5 t -108.18 136.72 47.38 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 120.264 -1.523 . . . . 10.0 112.7 -169.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.67 -24.78 3.58 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.035 1.334 . . . . 10.0 113.862 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 pptp? -53.53 -17.94 2.44 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 116.043 1.868 . . . . 10.0 116.043 169.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -122.48 6.82 9.53 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.12 1.368 . . . . 10.0 114.493 177.329 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 73.0 mt -106.8 128.3 61.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 127.332 2.253 . . . . 10.0 109.318 178.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.9 t -69.44 -54.01 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 123.515 0.726 . . . . 10.0 110.523 170.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -164.06 177.04 8.76 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.868 0.867 . . . . 10.0 112.157 174.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.8 pp -131.22 143.22 41.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 125.263 1.425 . . . . 10.0 111.254 171.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -109.95 119.67 40.07 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 107.643 -1.243 . . . . 10.0 107.643 167.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 80.7 mt -131.09 113.64 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 N-CA-C 108.214 -1.032 . . . . 10.0 108.214 173.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 48.9 m -119.79 120.52 36.77 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 125.047 1.339 . . . . 10.0 109.067 177.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.5 m -115.51 124.19 71.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 126.051 1.74 . . . . 10.0 108.445 -178.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 mp -117.83 133.03 56.34 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 124.768 1.227 . . . . 10.0 108.564 -177.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.6 p -139.6 134.66 39.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 123.244 0.618 . . . . 10.0 110.046 177.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -147.43 159.87 43.21 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.471 1.109 . . . . 10.0 110.658 -170.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -129.99 109.04 10.56 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 108.829 -0.804 . . . . 10.0 108.829 172.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.424 ' C ' ' H ' ' A' ' 49' ' ' GLU . 0.2 OUTLIER -131.2 80.67 1.95 Allowed 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.517 1.527 . . . . 10.0 108.008 -176.258 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.1 t70 63.85 -29.61 0.1 Allowed 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 127.06 2.144 . . . . 10.0 113.684 -167.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.424 ' H ' ' C ' ' A' ' 47' ' ' THR . 34.8 tt0 -132.44 159.84 38.15 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.951 2.501 . . . . 10.0 109.629 169.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -85.06 128.47 34.65 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 124.905 1.282 . . . . 10.0 108.43 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -129.95 150.32 51.29 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.945 0.898 . . . . 10.0 111.168 176.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.7 p -136.0 147.97 27.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 125.46 1.504 . . . . 10.0 108.511 174.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -141.29 146.35 36.66 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 123.849 0.86 . . . . 10.0 111.308 170.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 21.9 mt -132.25 109.01 14.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 C-N-CA 125.023 1.329 . . . . 10.0 109.84 -169.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.1 m -103.86 122.17 44.59 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 108.699 -0.852 . . . . 10.0 108.699 171.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.17 141.2 50.05 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.481 0.712 . . . . 10.0 110.942 172.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.74 147.11 38.64 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.701 1.6 . . . . 10.0 110.348 178.289 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 66.2 tp -128.02 104.33 7.73 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 125.839 1.656 . . . . 10.0 110.59 -170.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -93.17 102.72 15.02 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 108.767 -0.827 . . . . 10.0 108.767 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.4 mt -82.31 151.91 26.53 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.618 1.167 . . . . 10.0 111.674 176.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.482 ' C ' ' H ' ' A' ' 63' ' ' LEU . 32.3 t0 -62.77 147.71 49.03 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.236 0.458 . . . . 10.0 112.236 168.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -64.84 18.5 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 127.642 2.377 . . . . 10.0 113.812 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.482 ' H ' ' C ' ' A' ' 61' ' ' ASP . 94.1 mt -137.52 7.37 2.8 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 128.946 2.898 . . . . 10.0 111.592 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.2 m -115.8 143.31 45.58 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 125.148 1.379 . . . . 10.0 111.697 -172.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -139.7 94.68 2.8 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.308 1.443 . . . . 10.0 108.469 178.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.74 -170.65 3.21 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.879 1.272 . . . . 10.0 111.995 170.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -85.6 143.29 38.23 Favored Pre-proline 0 CA--C 1.546 0.819 0 O-C-N 121.182 -0.949 . . . . 10.0 111.28 -175.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -73.58 58.5 3.86 Favored 'Trans proline' 0 CA--C 1.545 1.056 1 C-N-CA 125.666 4.244 . . . . 10.0 112.647 -177.253 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 169.07 -1.82 0.04 OUTLIER Glycine 0 CA--C 1.538 1.478 0 C-N-CA 126.656 2.074 . . . . 10.0 114.739 -178.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.3 tt -59.47 -26.37 34.1 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 119.171 1.486 . . . . 10.0 114.676 -170.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.4 t -80.7 -50.33 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 124.509 1.124 . . . . 10.0 109.536 174.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.85 -39.56 65.74 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.752 2.021 . . . . 10.0 111.6 178.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -63.68 -38.17 90.09 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.948 0.899 . . . . 10.0 111.162 173.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.64 -41.58 75.42 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.753 0.706 . . . . 10.0 111.4 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.0 t -67.77 -44.98 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-O 119.179 -0.439 . . . . 10.0 110.528 178.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -58.62 -42.93 89.38 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.574 1.15 . . . . 10.0 111.612 172.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.97 -40.48 97.85 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 118.672 -0.68 . . . . 10.0 111.584 174.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.72 -45.14 87.82 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.371 0.987 . . . . 10.0 112.59 173.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -61.24 -43.22 99.23 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.015 0.825 . . . . 10.0 111.869 175.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -72.44 -38.57 68.28 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.838 0.855 . . . . 10.0 112.399 179.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 45.5 t -63.0 -41.96 99.72 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.966 0.906 . . . . 10.0 110.343 174.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 24.1 tp -61.36 -46.96 88.04 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 118.178 -0.915 . . . . 10.0 111.925 172.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -64.21 -41.13 97.17 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 120.168 1.349 . . . . 10.0 112.077 178.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 71.7 m -65.23 -23.03 66.95 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 113.8 1.037 . . . . 10.0 113.8 173.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -81.08 -42.07 21.59 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.474 1.109 . . . . 10.0 112.79 169.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.469 0.494 0 C-N-CA 125.835 1.654 . . . . 10.0 112.881 174.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 80.6 mt . . . . . 0 CA--C 1.534 0.365 0 CA-C-O 121.054 0.454 . . . . 10.0 110.384 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.5 p -103.57 177.04 4.95 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.647 1.579 . . . . 10.0 110.71 176.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -49.06 -37.71 21.91 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.855 0.862 . . . . 10.0 111.597 169.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.49 -46.44 85.29 Favored Glycine 0 CA--C 1.531 1.047 0 CA-C-N 118.491 0.587 . . . . 10.0 113.424 176.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.98 -38.78 86.66 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 117.725 0.762 . . . . 10.0 110.864 178.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.7 mp -64.49 -38.96 92.85 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 114.244 1.201 . . . . 10.0 114.244 169.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -67.13 -40.53 86.8 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 119.326 0.966 . . . . 10.0 111.697 172.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -63.5 -44.17 95.1 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 118.907 0.776 . . . . 10.0 111.654 174.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.2 mt -64.99 -45.41 94.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 O-C-N 121.64 -0.662 . . . . 10.0 110.727 175.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.6 m -63.2 -38.11 89.9 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.886 -0.509 . . . . 10.0 111.443 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.9 m -66.9 -43.91 82.19 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.545 1.138 . . . . 10.0 111.565 173.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -60.11 -41.82 93.41 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.371 0.668 . . . . 10.0 111.74 175.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 81.9 mt -63.96 -49.87 70.85 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 118.135 -0.936 . . . . 10.0 111.779 174.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -55.39 -49.97 70.94 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 119.618 1.099 . . . . 10.0 112.24 173.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -62.99 -38.39 90.99 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 109.806 -0.442 . . . . 10.0 109.806 -176.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.5 m -61.05 -47.27 87.16 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.321 0.648 . . . . 10.0 111.554 176.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 56.7 mt -65.68 -48.29 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 CA-C-N 119.029 0.831 . . . . 10.0 110.553 176.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.8 m -61.26 -44.48 97.17 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.207 0.603 . . . . 10.0 111.961 -177.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -68.41 -38.68 81.49 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 118.671 -0.681 . . . . 10.0 111.837 174.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -60.24 -43.81 95.76 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 119.692 1.133 . . . . 10.0 111.367 173.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 27.4 mt -59.92 -52.5 60.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 C-N-CA 124.272 1.029 . . . . 10.0 109.709 175.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -61.14 -26.43 67.68 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.515 0.932 . . . . 10.0 113.515 177.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -82.38 -17.57 45.06 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 114.006 1.113 . . . . 10.0 114.006 173.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -104.01 -30.72 10.1 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 117.713 -1.136 . . . . 10.0 113.645 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.4 t -143.83 144.29 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.909 1.284 . . . . 10.0 110.063 178.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.4 t -74.53 136.24 42.17 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.67 -0.644 . . . . 10.0 112.677 178.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.44 -25.06 5.69 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.695 0.798 . . . . 10.0 112.394 167.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.3 tttm -65.7 -11.5 45.74 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.613 1.338 . . . . 10.0 114.613 175.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -124.71 9.52 8.3 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.164 0.985 . . . . 10.0 112.744 171.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.6 mt -102.61 126.62 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 C-N-CA 124.711 1.204 . . . . 10.0 108.088 172.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.7 t -70.84 -52.71 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 C-N-CA 124.384 1.073 . . . . 10.0 109.855 171.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -164.17 177.15 8.6 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.987 0.915 . . . . 10.0 112.343 178.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.9 pt -137.61 142.99 35.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.565 1.546 . . . . 10.0 111.632 170.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -113.81 118.67 34.91 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 124.995 1.318 . . . . 10.0 108.492 168.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.9 mt -131.27 121.65 49.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 N-CA-C 108.446 -0.946 . . . . 10.0 108.446 175.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 52.1 m -119.72 119.16 32.85 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 126.178 1.791 . . . . 10.0 108.466 176.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.0 t -115.55 120.65 65.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 N-CA-C 107.935 -1.135 . . . . 10.0 107.935 172.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 mp -117.85 139.26 51.35 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 125.378 1.471 . . . . 10.0 109.246 178.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.3 p -134.33 138.0 50.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 C-N-CA 123.947 0.899 . . . . 10.0 108.725 177.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -145.75 157.53 43.93 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.759 1.223 . . . . 10.0 110.637 -167.047 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -148.54 99.54 3.02 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.578 -0.701 . . . . 10.0 109.998 175.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.3 p -131.03 80.9 1.96 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.248 1.419 . . . . 10.0 109.247 -179.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.2 t70 64.92 -35.33 0.18 Allowed 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 127.491 2.317 . . . . 10.0 113.355 -168.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -108.04 149.57 28.26 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.619 1.968 . . . . 10.0 108.993 168.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.9 tt -85.24 127.51 34.33 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 107.631 -1.248 . . . . 10.0 107.631 171.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.1 tptt -129.89 146.51 51.61 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.492 0.663 . . . . 10.0 111.443 -178.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.8 p -136.17 145.57 30.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 124.735 1.214 . . . . 10.0 108.006 169.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -130.41 136.26 48.86 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 126.01 1.724 . . . . 10.0 108.19 175.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 21.8 mt -132.25 110.17 16.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 N-CA-C 107.41 -1.33 . . . . 10.0 107.41 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.0 t -117.97 122.11 42.39 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 108.436 -0.95 . . . . 10.0 108.436 175.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.28 138.35 49.24 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.073 0.949 . . . . 10.0 110.099 179.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -140.51 143.8 35.63 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.839 1.256 . . . . 10.0 109.818 172.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.12 127.46 43.06 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 125.353 1.461 . . . . 10.0 109.916 -171.449 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -107.71 102.93 12.11 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 107.994 -1.113 . . . . 10.0 107.994 -175.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.0 mt -86.91 151.94 22.87 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.583 1.153 . . . . 10.0 112.139 178.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -60.48 146.97 42.85 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 115.81 -0.632 . . . . 10.0 111.614 169.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -65.0 -8.13 14.65 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.508 1.299 . . . . 10.0 114.508 -178.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.25 11.99 9.46 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.139 1.776 . . . . 10.0 112.704 177.071 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 78.4 p -59.8 169.74 1.33 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.401 1.88 . . . . 10.0 113.734 169.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -148.67 94.74 2.32 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 122.16 0.981 . . . . 10.0 110.616 177.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -142.63 170.29 15.97 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.791 1.636 . . . . 10.0 112.813 -174.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -85.7 142.32 36.93 Favored Pre-proline 0 CA--C 1.55 0.963 0 N-CA-C 113.254 0.835 . . . . 10.0 113.254 -169.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -74.83 57.02 4.33 Favored 'Trans proline' 0 CA--C 1.547 1.158 1 C-N-CA 125.833 4.356 . . . . 10.0 112.988 -176.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 172.35 -5.24 0.03 OUTLIER Glycine 0 CA--C 1.539 1.547 0 C-N-CA 126.277 1.894 . . . . 10.0 115.18 -176.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.2 tt -55.69 -20.12 7.59 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 C-N-CA 126.667 1.987 . . . . 10.0 115.741 -172.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 57.9 t -78.66 -53.46 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 125.78 1.632 . . . . 10.0 111.188 175.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -53.01 -36.1 60.12 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.179 1.392 . . . . 10.0 111.373 176.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -63.58 -34.64 78.26 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 122.871 0.468 . . . . 10.0 111.516 173.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.6 -41.2 72.6 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-N 119.024 0.829 . . . . 10.0 111.258 178.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.7 t -67.98 -44.58 84.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 C-N-CA 122.712 0.405 . . . . 10.0 110.378 178.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -59.15 -42.02 89.71 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.749 1.619 . . . . 10.0 111.6 172.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.03 -41.66 99.59 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.658 0.663 . . . . 10.0 111.845 173.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.09 -42.65 99.43 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 119.105 0.866 . . . . 10.0 112.37 172.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -63.59 -43.34 97.24 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.066 0.848 . . . . 10.0 112.323 176.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 73.0 mtt-85 -68.18 -39.26 82.56 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 118.784 0.72 . . . . 10.0 111.686 176.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.0 t -65.84 -29.66 70.16 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-O 117.526 -1.226 . . . . 10.0 112.448 174.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 33.0 tp -69.59 -43.58 72.52 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 119.91 1.232 . . . . 10.0 111.387 172.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -60.33 -41.51 93.73 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 118.26 0.482 . . . . 10.0 110.977 173.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.1 t -71.85 -30.17 65.17 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.303 0.853 . . . . 10.0 113.303 177.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -68.81 -42.23 77.54 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.161 0.985 . . . . 10.0 110.611 174.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.9 mt . . . . . 0 N--CA 1.467 0.415 0 CA-C-N 118.685 0.675 . . . . 10.0 112.389 177.855 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 65.9 mt . . . . . 0 CA--C 1.537 0.462 0 CA-C-O 120.705 0.288 . . . . 10.0 110.751 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.5 t -157.17 -168.05 2.51 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 125.478 1.511 . . . . 10.0 109.977 -176.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -69.04 36.63 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 129.706 3.202 . . . . 10.0 113.349 -177.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.15 -45.26 0.02 OUTLIER Glycine 0 CA--C 1.528 0.85 0 C-N-CA 126.654 2.073 . . . . 10.0 110.729 169.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.14 -35.05 73.79 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.707 1.203 . . . . 10.0 113.104 176.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.1 mt -67.43 -42.45 83.13 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.131 -0.981 . . . . 10.0 110.676 172.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.54 -39.87 92.63 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.01 1.324 . . . . 10.0 111.587 172.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -59.65 -43.96 93.71 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.241 1.016 . . . . 10.0 111.495 171.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.5 mt -64.93 -47.87 86.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-N 119.47 1.032 . . . . 10.0 110.945 176.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.51 -41.2 93.85 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.148 0.886 . . . . 10.0 111.281 175.024 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.8 t -60.9 -43.75 98.07 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.126 -0.984 . . . . 10.0 112.329 174.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -62.13 -41.67 98.48 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.734 1.214 . . . . 10.0 111.983 175.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.5 mt -65.12 -47.38 77.37 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.204 0.602 . . . . 10.0 111.705 173.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.7 t-160 -59.11 -46.85 87.26 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.434 0.694 . . . . 10.0 111.389 176.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -60.6 -41.81 95.53 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.815 0.846 . . . . 10.0 111.574 173.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.0 m -61.01 -44.43 97.43 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 118.617 0.644 . . . . 10.0 110.727 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 72.0 mt -70.58 -43.98 77.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-O 118.509 -0.757 . . . . 10.0 111.444 176.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.51 -51.86 57.42 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 119.123 0.874 . . . . 10.0 110.92 175.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -71.39 -37.44 71.55 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 114.86 -1.064 . . . . 10.0 111.235 -173.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -58.84 -45.88 89.02 Favored 'General case' 0 C--N 1.345 0.385 0 CA-C-O 119.089 -0.482 . . . . 10.0 110.749 169.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.2 mt -63.58 -48.71 85.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-N 119.005 0.821 . . . . 10.0 110.077 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.31 -11.1 13.3 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.151 1.167 . . . . 10.0 114.151 174.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.3 mtpt -111.13 4.78 19.61 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.757 1.623 . . . . 10.0 112.968 174.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -124.56 -25.55 4.0 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.254 1.422 . . . . 10.0 112.795 177.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 23.9 t -144.24 152.43 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 126.284 1.834 . . . . 10.0 109.189 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.9 t -90.2 136.8 32.82 Favored 'General case' 0 N--CA 1.464 0.227 0 O-C-N 121.167 -0.958 . . . . 10.0 112.672 -178.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.42 -24.4 3.05 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.779 1.232 . . . . 10.0 112.323 168.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.91 -31.88 13.37 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.754 1.222 . . . . 10.0 113.897 168.006 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -121.34 -15.82 8.02 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 114.561 1.319 . . . . 10.0 114.561 -178.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 44.7 mm -70.93 105.77 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 N-CA-C 107.961 -1.125 . . . . 10.0 107.961 169.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.4 t -68.97 -49.08 66.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 N-CA-C 109.141 -0.689 . . . . 10.0 109.141 170.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -161.86 177.06 10.2 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 121.398 0.618 . . . . 10.0 112.191 171.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 pp -134.85 143.13 38.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 125.282 1.433 . . . . 10.0 111.23 170.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -112.25 129.61 56.21 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 105.185 -2.154 . . . . 10.0 105.185 165.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 68.5 mt -131.36 124.59 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 N-CA-C 107.84 -1.171 . . . . 10.0 107.84 174.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.6 t -119.77 119.08 32.58 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.529 0.68 . . . . 10.0 109.891 169.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.7 m -115.87 117.25 54.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 C-N-CA 125.54 1.536 . . . . 10.0 108.582 177.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.3 mt -118.02 139.11 51.67 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 125.354 1.461 . . . . 10.0 109.603 -172.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.4 p -139.57 137.41 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 C-N-CA 123.889 0.876 . . . . 10.0 110.403 178.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -149.05 159.85 43.85 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.185 1.794 . . . . 10.0 109.336 -173.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -141.6 105.16 4.69 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 108.228 -1.027 . . . . 10.0 108.228 174.103 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.3 p -131.17 80.97 1.96 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 126.341 1.856 . . . . 10.0 108.686 -173.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.0 t70 65.97 -33.16 0.18 Allowed 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 127.472 2.309 . . . . 10.0 113.479 -168.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -123.19 159.96 27.55 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 127.774 2.43 . . . . 10.0 108.912 169.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.8 tp -84.59 129.07 34.89 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 106.858 -1.534 . . . . 10.0 106.858 175.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -125.97 136.91 53.55 Favored 'General case' 0 CA--C 1.526 0.031 0 C-N-CA 123.831 0.853 . . . . 10.0 109.551 -178.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.7 p -136.35 142.2 39.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 124.852 1.261 . . . . 10.0 108.297 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -140.76 141.07 34.87 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.197 0.599 . . . . 10.0 110.964 176.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 26.4 mt -132.87 129.4 57.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 C-N-CA 124.297 1.039 . . . . 10.0 111.207 -174.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.1 t -128.85 136.6 50.68 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 107.594 -1.261 . . . . 10.0 107.594 164.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.2 138.21 49.29 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.941 -0.763 . . . . 10.0 108.941 170.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -125.1 135.81 53.04 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 124.953 1.301 . . . . 10.0 108.621 -175.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.3 mt -116.8 104.34 11.23 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 125.055 1.342 . . . . 10.0 109.216 -172.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -97.68 102.87 14.73 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 108.036 -1.098 . . . . 10.0 108.036 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -85.17 151.88 23.78 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.149 1.38 . . . . 10.0 111.44 176.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.469 ' C ' ' H ' ' A' ' 63' ' ' LEU . 45.4 t0 -61.93 147.06 48.05 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.337 0.655 . . . . 10.0 111.603 169.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -71.06 20.0 0.05 OUTLIER 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.875 1.67 . . . . 10.0 113.363 -179.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.469 ' H ' ' C ' ' A' ' 61' ' ' ASP . 14.4 mt -144.75 17.42 1.63 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 129.647 3.179 . . . . 10.0 111.037 -174.273 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.6 m -154.03 146.15 23.71 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 119.971 -1.705 . . . . 10.0 111.65 172.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -137.76 94.6 2.92 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.462 1.105 . . . . 10.0 109.438 -167.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.91 -176.74 4.06 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 124.821 1.249 . . . . 10.0 111.642 169.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -85.58 144.08 39.54 Favored Pre-proline 0 CA--C 1.546 0.815 0 O-C-N 120.67 -1.268 . . . . 10.0 112.216 -169.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -75.28 60.37 5.62 Favored 'Trans proline' 0 CA--C 1.543 0.96 0 C-N-CA 125.197 3.931 . . . . 10.0 112.702 -175.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.16 -3.43 0.03 OUTLIER Glycine 0 CA--C 1.534 1.272 0 N-CA-C 116.637 1.415 . . . . 10.0 116.637 -178.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 78.0 mt -59.56 -26.15 33.69 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 CA-C-N 120.18 1.99 . . . . 10.0 113.111 -176.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.02 -53.27 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 123.621 0.768 . . . . 10.0 110.826 169.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -58.45 -41.0 84.17 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.738 0.815 . . . . 10.0 110.404 177.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -63.75 -41.38 98.02 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 122.477 0.311 . . . . 10.0 111.277 174.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.06 -44.49 72.5 Favored 'General case' 0 C--N 1.344 0.339 0 O-C-N 121.752 -0.593 . . . . 10.0 111.661 -177.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.429 HG11 ' CE2' ' A' ' 79' ' ' TYR . 22.0 t -76.17 -33.74 24.85 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-O 118.006 -0.997 . . . . 10.0 110.187 -176.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -58.73 -43.04 90.07 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 120.558 1.526 . . . . 10.0 111.481 167.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.01 -41.87 99.68 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 122.016 -0.427 . . . . 10.0 110.966 176.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.58 -44.87 92.81 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 118.713 -0.661 . . . . 10.0 112.746 172.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.429 ' CE2' HG11 ' A' ' 75' ' ' VAL . 29.7 m-85 -63.82 -43.54 95.92 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 119.523 1.056 . . . . 10.0 111.73 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 40.6 mtm180 -72.47 -34.42 67.71 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 118.512 0.596 . . . . 10.0 111.961 178.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.6 t -66.45 -25.84 66.92 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 118.172 -0.918 . . . . 10.0 112.95 169.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 25.2 tp -80.82 -37.73 29.57 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 119.181 0.901 . . . . 10.0 111.903 174.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -59.07 -41.12 87.2 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.544 1.066 . . . . 10.0 110.698 169.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.5 t -62.76 -27.66 69.44 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.118 0.967 . . . . 10.0 113.35 173.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -81.06 -42.26 21.32 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.61 1.164 . . . . 10.0 112.446 174.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.5 mm? . . . . . 0 N--CA 1.472 0.671 0 C-N-CA 125.648 1.579 . . . . 10.0 113.725 178.342 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.1 mt . . . . . 0 CA--C 1.536 0.421 0 N-CA-C 110.423 -0.214 . . . . 10.0 110.423 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.4 t -153.64 -170.31 3.55 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.653 1.181 . . . . 10.0 110.521 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -58.29 24.54 0.0 OUTLIER 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 131.318 3.847 . . . . 10.0 115.967 -178.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.14 -54.9 0.03 OUTLIER Glycine 0 CA--C 1.524 0.6 0 C-N-CA 126.066 1.793 . . . . 10.0 110.004 171.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -67.39 -41.85 84.31 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.778 0.831 . . . . 10.0 112.363 178.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.7 mt -68.93 -34.01 74.66 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.376 -0.828 . . . . 10.0 111.672 170.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -70.15 -35.71 74.23 Favored 'General case' 0 C--O 1.224 -0.247 0 N-CA-C 113.082 0.771 . . . . 10.0 113.082 175.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -54.99 -40.94 70.61 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.229 0.922 . . . . 10.0 110.067 168.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 82.2 mt -67.95 -43.16 85.9 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 CA-C-O 118.611 -0.709 . . . . 10.0 112.164 171.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.7 -42.58 88.92 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 119.9 1.227 . . . . 10.0 111.14 176.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.9 t -67.65 -43.97 79.02 Favored 'General case' 0 N--CA 1.458 -0.07 0 C-N-CA 126.625 1.97 . . . . 10.0 111.24 177.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -59.51 -42.65 92.71 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.679 0.672 . . . . 10.0 111.768 174.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 81.5 mt -67.84 -50.73 55.0 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.16 0.584 . . . . 10.0 111.607 178.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -58.23 -48.47 80.3 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.083 0.553 . . . . 10.0 111.418 176.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -61.24 -38.82 88.05 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 118.898 -0.572 . . . . 10.0 111.82 176.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.5 m -61.19 -47.08 87.79 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.084 0.856 . . . . 10.0 110.846 178.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.9 mt -62.81 -44.69 99.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-N 118.554 0.615 . . . . 10.0 110.413 174.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.5 t -59.67 -51.2 70.83 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.301 0.64 . . . . 10.0 112.538 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -58.45 -38.79 78.26 Favored 'General case' 0 C--N 1.344 0.352 0 N-CA-C 114.265 1.209 . . . . 10.0 114.265 169.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -71.26 -40.43 70.98 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.527 1.058 . . . . 10.0 109.025 -176.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 42.5 mt -59.9 -49.02 85.51 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 124.457 1.103 . . . . 10.0 110.172 171.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -60.93 -24.94 66.41 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.487 1.04 . . . . 10.0 113.604 175.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.9 mttp -97.6 9.38 42.65 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.789 1.636 . . . . 10.0 112.655 175.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -121.79 -39.0 2.67 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.774 1.63 . . . . 10.0 113.534 175.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.5 p -143.84 145.37 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 124.399 1.08 . . . . 10.0 111.679 -175.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.5 t -68.38 112.62 5.35 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.112 0.965 . . . . 10.0 112.058 -177.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.46 -24.87 5.51 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.295 1.438 . . . . 10.0 114.015 170.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -65.38 -8.39 18.32 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.02 1.119 . . . . 10.0 114.02 171.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -117.67 3.18 12.35 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.842 2.057 . . . . 10.0 111.2 176.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.3 mm -100.75 120.95 50.95 Favored 'Isoleucine or valine' 0 C--N 1.34 0.187 0 C-N-CA 125.036 1.334 . . . . 10.0 108.376 177.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.3 t -68.98 -50.44 53.82 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 C-N-CA 124.545 1.138 . . . . 10.0 109.314 171.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -165.34 177.18 7.73 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.852 0.861 . . . . 10.0 112.171 175.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.0 pt -135.89 140.17 44.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 125.036 1.334 . . . . 10.0 111.216 169.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -107.47 121.32 44.37 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 107.311 -1.366 . . . . 10.0 107.311 167.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 79.9 mt -131.09 122.57 51.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 N-CA-C 108.199 -1.038 . . . . 10.0 108.199 172.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 58.3 m -119.79 121.17 38.53 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 125.454 1.502 . . . . 10.0 108.49 176.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.6 t -115.65 123.87 71.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 C-N-CA 124.431 1.092 . . . . 10.0 108.115 171.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 mp -117.73 139.15 51.45 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 125.576 1.55 . . . . 10.0 109.093 175.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.2 p -139.52 131.3 34.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 C-N-CA 123.727 0.811 . . . . 10.0 109.334 175.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -144.68 159.91 42.06 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.186 1.394 . . . . 10.0 110.672 -172.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -141.13 106.27 4.99 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 108.831 -0.803 . . . . 10.0 108.831 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.8 t -131.37 80.88 1.95 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.917 1.287 . . . . 10.0 108.851 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.0 t70 64.79 -44.75 0.32 Allowed 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 127.738 2.415 . . . . 10.0 112.607 -166.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -99.12 153.76 18.65 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.736 2.014 . . . . 10.0 109.674 167.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 57.7 tp -85.32 129.31 34.84 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.42 1.488 . . . . 10.0 109.211 169.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.88 137.23 53.72 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.515 0.726 . . . . 10.0 110.457 174.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.2 p -136.2 132.47 49.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 C-N-CA 125.066 1.346 . . . . 10.0 108.284 172.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -137.3 134.58 36.24 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 124.759 1.224 . . . . 10.0 108.936 -169.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 42.5 mt -132.18 130.44 60.69 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.112 0 N-CA-C 108.172 -1.047 . . . . 10.0 108.172 -171.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.4 m -131.9 130.31 41.45 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 123.664 0.786 . . . . 10.0 109.601 168.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.22 142.01 50.11 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.128 0.971 . . . . 10.0 110.415 176.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -139.51 147.46 41.3 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.018 1.327 . . . . 10.0 110.428 176.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.6 tp -124.47 105.35 9.33 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 126.18 1.792 . . . . 10.0 110.568 -168.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -91.47 102.8 15.47 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 108.512 -0.922 . . . . 10.0 108.512 177.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.3 mt -82.3 151.74 26.61 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 125.676 1.59 . . . . 10.0 111.813 173.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -62.26 133.55 55.3 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 108.42 -0.956 . . . . 10.0 108.42 166.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 pm0 -64.89 -5.85 6.98 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 114.93 1.456 . . . . 10.0 114.93 -175.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.9 tt -92.2 -7.23 48.88 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.407 1.083 . . . . 10.0 113.001 169.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.6 t -105.35 167.89 9.44 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.705 1.139 . . . . 10.0 112.7 179.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -157.58 94.92 1.4 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.921 1.688 . . . . 10.0 109.887 -169.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.93 -173.46 2.98 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.081 1.352 . . . . 10.0 112.42 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -85.3 144.82 41.4 Favored Pre-proline 0 CA--C 1.549 0.905 0 O-C-N 120.631 -1.293 . . . . 10.0 112.002 -168.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -73.64 45.74 1.11 Allowed 'Trans proline' 0 CA--C 1.547 1.161 1 C-N-CA 126.276 4.651 . . . . 10.0 114.803 -169.295 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.16 9.21 0.02 OUTLIER Glycine 0 CA--C 1.538 1.508 0 C-N-CA 127.097 2.284 . . . . 10.0 114.328 176.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 8.4 tt -66.39 -19.24 25.37 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 CA-C-N 119.014 1.407 . . . . 10.0 114.393 -169.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.3 t -83.65 -50.63 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 124.386 1.074 . . . . 10.0 110.053 171.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -55.52 -41.18 72.79 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.81 1.244 . . . . 10.0 111.659 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -64.04 -29.84 70.95 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.191 0.811 . . . . 10.0 113.191 174.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.24 -36.28 74.39 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 118.453 0.57 . . . . 10.0 111.859 172.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.6 t -70.01 -44.46 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-O 119.053 -0.499 . . . . 10.0 110.34 176.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -58.7 -39.2 80.08 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 118.745 0.702 . . . . 10.0 111.365 169.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.75 -43.54 98.53 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 119.095 0.861 . . . . 10.0 110.824 175.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.98 -42.9 91.11 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.394 0.997 . . . . 10.0 112.655 170.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -65.03 -43.3 92.85 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 118.99 0.814 . . . . 10.0 112.887 176.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -72.54 -29.95 64.01 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 119.438 1.017 . . . . 10.0 112.811 178.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.9 m -66.83 -44.71 80.39 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-O 118.145 -0.931 . . . . 10.0 110.343 168.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 32.2 tp -62.31 -40.22 95.58 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 119.628 1.104 . . . . 10.0 112.803 175.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -58.63 -36.4 74.02 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 125.289 1.435 . . . . 10.0 110.754 176.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.0 m -82.52 -35.69 27.07 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.67 1.188 . . . . 10.0 112.584 175.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -58.9 -39.28 81.01 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 125.579 1.552 . . . . 10.0 113.092 -174.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 N--CA 1.468 0.465 0 N-CA-C 112.891 0.7 . . . . 10.0 112.891 178.25 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 90.7 mt . . . . . 0 CA--C 1.536 0.432 0 CA-C-O 121.275 0.56 . . . . 10.0 111.425 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.8 p -124.78 178.57 5.4 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 126.969 2.108 . . . . 10.0 110.18 178.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -49.42 -36.24 21.63 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.817 0.847 . . . . 10.0 112.465 170.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.2 -41.83 68.33 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-N 118.309 0.504 . . . . 10.0 113.023 177.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -70.06 -39.23 75.79 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 117.891 0.845 . . . . 10.0 111.152 177.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.9 mp -64.09 -38.76 92.23 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 113.574 0.953 . . . . 10.0 113.574 169.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -63.92 -46.02 86.67 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.221 0.918 . . . . 10.0 111.389 170.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -62.21 -39.36 92.52 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 119.147 0.885 . . . . 10.0 113.093 175.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 52.3 mt -64.86 -44.52 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-N 119.542 1.065 . . . . 10.0 110.088 172.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.7 m -63.25 -41.07 99.01 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.066 0.546 . . . . 10.0 111.474 179.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.5 t -63.49 -43.98 95.68 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.409 1.883 . . . . 10.0 112.098 172.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -61.22 -42.46 98.64 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 124.07 0.948 . . . . 10.0 111.755 175.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.8 mt -67.86 -47.47 68.83 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.355 0.662 . . . . 10.0 111.575 176.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -56.02 -49.08 74.68 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.209 0.604 . . . . 10.0 111.487 174.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -60.69 -41.45 95.19 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 122.692 0.397 . . . . 10.0 111.706 176.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.8 m -61.09 -46.28 91.28 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.459 0.704 . . . . 10.0 111.164 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 64.0 mt -63.94 -44.47 97.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 CA-C-N 118.249 0.477 . . . . 10.0 110.502 174.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.7 t -58.92 -51.01 71.85 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.279 0.632 . . . . 10.0 112.221 178.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -59.56 -38.76 81.97 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 113.344 0.868 . . . . 10.0 113.344 171.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -64.17 -45.68 87.33 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 119.677 1.126 . . . . 10.0 110.944 178.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 82.3 mt -62.03 -52.75 56.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 123.627 0.771 . . . . 10.0 109.533 176.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.3 mp -63.76 -9.36 14.05 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 114.636 1.347 . . . . 10.0 114.636 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -115.45 4.23 14.26 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.773 1.229 . . . . 10.0 112.49 177.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.2 ttt-85 -123.39 -15.57 7.11 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.903 1.281 . . . . 10.0 113.62 170.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.2 t -142.02 149.73 19.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 127.706 2.403 . . . . 10.0 107.616 175.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.8 t -97.97 136.2 38.6 Favored 'General case' 0 N--CA 1.464 0.261 0 O-C-N 121.011 -1.056 . . . . 10.0 112.226 -173.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.71 -24.65 3.55 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.711 1.604 . . . . 10.0 114.468 177.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -61.84 -24.74 67.09 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 115.183 1.549 . . . . 10.0 115.183 172.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.9 pm0 -110.12 -16.54 13.77 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.121 1.156 . . . . 10.0 114.121 175.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 37.0 mm -72.88 114.45 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 123.81 0.844 . . . . 10.0 108.911 169.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 19.7 t -72.5 -49.96 38.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 109.01 -0.737 . . . . 10.0 109.01 168.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -163.86 177.0 8.94 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.454 0.702 . . . . 10.0 112.492 172.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.0 pt -137.11 143.03 35.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 C-N-CA 125.525 1.53 . . . . 10.0 109.886 170.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -127.54 119.5 26.16 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 123.774 0.83 . . . . 10.0 109.193 176.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.6 mt -131.16 126.34 58.96 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.129 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 -173.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 90.3 m -119.76 120.39 36.4 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 125.63 1.572 . . . . 10.0 108.241 176.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.1 t -115.51 126.49 73.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 N-CA-C 107.247 -1.39 . . . . 10.0 107.247 173.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 88.3 mt -117.73 135.62 53.91 Favored 'General case' 0 C--N 1.334 -0.096 0 C-N-CA 124.354 1.062 . . . . 10.0 108.674 178.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.2 p -139.79 132.84 35.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 C-N-CA 123.856 0.862 . . . . 10.0 110.447 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -144.8 159.95 42.04 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.716 1.606 . . . . 10.0 110.973 -173.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -137.41 99.77 4.05 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.457 0.703 . . . . 10.0 109.205 174.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.9 p -131.27 80.57 1.94 Allowed 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 108.05 -1.093 . . . . 10.0 108.05 -178.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.0 t70 62.73 -41.17 0.17 Allowed 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 127.31 2.244 . . . . 10.0 113.063 -167.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -98.31 144.42 27.74 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.972 2.509 . . . . 10.0 109.181 168.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.8 tp -85.25 118.91 25.08 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 105.918 -1.882 . . . . 10.0 105.918 167.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.1 tttp -131.14 132.8 45.04 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 121.155 0.503 . . . . 10.0 110.441 -170.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.3 p -136.26 141.94 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 C-N-CA 124.981 1.312 . . . . 10.0 109.33 -177.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -137.02 145.58 44.24 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.374 1.07 . . . . 10.0 110.533 175.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.3 mt -132.41 121.79 46.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 125.419 1.488 . . . . 10.0 108.838 -172.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.6 t -129.2 127.92 42.28 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 124.002 0.921 . . . . 10.0 109.433 174.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.24 139.46 49.66 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.334 1.054 . . . . 10.0 110.693 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -128.02 143.44 51.08 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 125.962 1.705 . . . . 10.0 109.441 176.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 68.2 tp -128.07 104.3 7.7 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.943 1.697 . . . . 10.0 111.632 -166.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -97.63 104.53 16.57 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 121.311 0.577 . . . . 10.0 110.842 -178.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -82.37 152.15 26.34 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 125.187 1.395 . . . . 10.0 111.276 168.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -56.63 147.4 22.61 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 115.056 -0.975 . . . . 10.0 111.845 168.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.89 6.85 0.2 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.82 2.048 . . . . 10.0 114.116 -176.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.33 7.81 9.06 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.309 2.243 . . . . 10.0 112.427 175.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.7 m -132.03 156.39 46.34 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.746 1.618 . . . . 10.0 112.45 -174.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -154.99 94.92 1.69 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.542 1.137 . . . . 10.0 109.628 -171.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.2 169.6 15.79 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.869 1.268 . . . . 10.0 112.727 175.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -85.32 140.43 36.46 Favored Pre-proline 0 CA--C 1.548 0.9 0 O-C-N 120.717 -1.239 . . . . 10.0 111.822 -169.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -72.25 69.14 3.3 Favored 'Trans proline' 0 C--N 1.356 0.928 1 C-N-CA 125.482 4.122 . . . . 10.0 112.152 -176.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.03 -15.95 0.03 OUTLIER Glycine 0 CA--C 1.534 1.235 0 C-N-CA 126.321 1.915 . . . . 10.0 113.952 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.1 mt -61.35 -38.64 80.38 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-N 119.751 1.775 . . . . 10.0 112.828 -177.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 86.8 t -66.85 -50.48 64.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 123.79 0.836 . . . . 10.0 110.174 175.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.42 -45.2 72.93 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.225 1.81 . . . . 10.0 110.964 176.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -63.87 -39.61 94.61 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.936 0.895 . . . . 10.0 111.958 172.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.38 -43.35 86.14 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.873 1.215 . . . . 10.0 111.346 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 48.3 t -66.71 -45.96 86.88 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 125.497 1.519 . . . . 10.0 110.804 177.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -58.79 -40.48 84.14 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.161 1.384 . . . . 10.0 112.653 170.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.97 -39.36 93.37 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.038 -1.039 . . . . 10.0 111.849 174.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.28 -43.07 98.98 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 118.966 -0.54 . . . . 10.0 111.906 170.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -63.02 -43.18 99.43 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.26 0.936 . . . . 10.0 112.767 175.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 76.9 mtt-85 -63.68 -40.94 98.05 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.109 0.868 . . . . 10.0 111.309 175.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.0 m -63.17 -36.51 83.87 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 123.586 0.754 . . . . 10.0 111.5 175.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.3 tp -70.51 -45.31 65.84 Favored 'General case' 0 C--N 1.34 0.189 0 C-N-CA 123.449 0.7 . . . . 10.0 112.539 174.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -59.01 -41.19 87.11 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.315 0.961 . . . . 10.0 110.835 178.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . 0.311 26.6 m -74.24 -17.79 60.83 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 115.637 1.717 . . . . 10.0 115.637 173.146 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -65.64 -41.11 93.0 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.238 0.926 . . . . 10.0 108.98 165.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 CA--C 1.537 0.458 0 CA-C-O 116.999 -1.476 . . . . 10.0 114.506 174.832 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 74.4 mt . . . . . 0 CA--C 1.533 0.309 0 CA-C-O 121.134 0.492 . . . . 10.0 109.874 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.8 t -130.99 173.87 10.57 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 126.238 1.815 . . . . 10.0 106.765 171.308 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -43.3 -35.88 1.64 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 128.186 2.594 . . . . 10.0 113.624 -173.089 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.28 -57.65 11.18 Favored Glycine 0 CA--C 1.533 1.203 0 CA-C-N 119.041 0.837 . . . . 10.0 114.091 173.394 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.85 -38.9 89.97 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.204 1.402 . . . . 10.0 111.267 178.234 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.0 mt -69.44 -40.76 77.01 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.388 1.075 . . . . 10.0 111.875 176.633 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -59.88 -45.76 91.48 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 119.122 0.874 . . . . 10.0 111.013 169.771 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -62.7 -37.83 88.02 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.048 0.84 . . . . 10.0 112.568 176.196 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.3 mt -64.87 -39.23 84.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 O-C-N 120.549 -1.345 . . . . 10.0 110.78 172.015 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.4 p -59.53 -40.83 88.48 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.31 -0.869 . . . . 10.0 112.08 170.483 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.44 -43.87 97.79 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 125.257 1.423 . . . . 10.0 110.981 174.243 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -58.96 -42.62 90.32 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.674 0.79 . . . . 10.0 111.812 174.583 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 93.6 mt -67.24 -47.66 70.11 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 118.551 0.614 . . . . 10.0 112.219 176.46 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -60.88 -44.16 97.46 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.343 0.657 . . . . 10.0 111.826 178.108 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -63.91 -40.22 95.98 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 118.353 -0.832 . . . . 10.0 111.558 172.121 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.0 m -60.94 -46.67 89.78 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.886 1.221 . . . . 10.0 111.764 -179.402 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 29.6 mt -64.31 -44.29 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-N 118.435 0.561 . . . . 10.0 110.44 174.235 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.0 m -59.36 -50.56 73.51 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.534 0.734 . . . . 10.0 112.055 -179.123 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -58.79 -38.78 79.31 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 114.812 1.412 . . . . 10.0 114.812 170.86 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.477 ' CE1' ' HD2' ' A' ' 29' ' ' ARG . 24.9 t80 -65.25 -45.83 82.99 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.385 0.993 . . . . 10.0 110.431 176.649 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.9 mt -59.94 -51.74 69.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 124.199 1.0 . . . . 10.0 109.724 176.631 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.08 -8.96 13.6 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 114.554 1.316 . . . . 10.0 114.554 177.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.5 mtmm -112.9 8.17 18.54 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.869 1.268 . . . . 10.0 112.736 171.639 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.477 ' HD2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -117.14 -34.79 4.25 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.854 1.662 . . . . 10.0 113.579 170.306 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.2 p -145.84 146.21 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 125.266 1.427 . . . . 10.0 110.045 -175.376 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.8 t -81.15 136.49 35.89 Favored 'General case' 0 N--CA 1.462 0.146 0 O-C-N 121.517 -0.739 . . . . 10.0 111.017 -179.56 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.95 -24.84 3.96 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.788 1.235 . . . . 10.0 112.917 168.774 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -64.52 -15.22 60.54 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 114.771 1.397 . . . . 10.0 114.771 171.251 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -99.78 -12.99 19.45 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.321 1.848 . . . . 10.0 111.431 175.826 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.5 mm -98.08 127.42 50.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 C-N-CA 126.0 1.72 . . . . 10.0 109.462 -173.149 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.5 t -75.34 -52.45 18.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 C-N-CA 123.824 0.85 . . . . 10.0 108.763 168.904 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -165.51 177.15 7.61 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.258 1.023 . . . . 10.0 111.741 173.408 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 21.4 pt -135.84 143.08 37.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 125.039 1.336 . . . . 10.0 111.254 171.885 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -112.44 119.98 40.07 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 108.103 -1.073 . . . . 10.0 108.103 168.652 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.0 mt -131.11 113.23 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 108.458 -0.942 . . . . 10.0 108.458 173.899 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.5 m -119.75 117.75 29.05 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 124.923 1.289 . . . . 10.0 108.503 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.7 m -115.69 122.13 68.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 C-N-CA 125.917 1.687 . . . . 10.0 109.407 -176.596 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -117.73 139.34 51.18 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 125.089 1.356 . . . . 10.0 109.148 -177.831 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.3 p -131.95 140.44 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 123.47 0.708 . . . . 10.0 109.537 176.854 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -145.99 152.79 39.94 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.678 1.191 . . . . 10.0 110.235 -169.07 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -145.16 99.57 3.34 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.215 0.606 . . . . 10.0 109.775 174.804 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.412 ' C ' ' H ' ' A' ' 49' ' ' GLU . 31.0 m -131.18 92.61 3.22 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.883 1.273 . . . . 10.0 107.62 179.818 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.3 t70 63.05 -27.28 0.07 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 127.263 2.225 . . . . 10.0 114.551 -169.226 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.412 ' H ' ' C ' ' A' ' 47' ' ' THR . 0.0 OUTLIER -140.8 159.95 41.11 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 127.702 2.401 . . . . 10.0 110.389 172.21 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 36.3 tp -85.0 129.36 34.81 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.736 2.014 . . . . 10.0 109.894 -178.241 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.462 ' HZ1' ' CG ' ' A' ' 53' ' ' ASP . 9.6 ttpp -131.03 147.57 52.64 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.525 0.678 . . . . 10.0 110.79 170.821 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.2 p -136.1 135.84 49.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 124.672 1.189 . . . . 10.0 107.998 169.811 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.462 ' CG ' ' HZ1' ' A' ' 51' ' ' LYS . 16.2 m-20 -122.59 138.75 54.49 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 125.468 1.507 . . . . 10.0 108.349 -177.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.6 mt -131.61 110.55 17.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 N-CA-C 107.167 -1.42 . . . . 10.0 107.167 -172.115 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.0 m -109.47 122.14 46.73 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 108.017 -1.105 . . . . 10.0 108.017 173.227 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.19 141.83 50.11 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.405 0.682 . . . . 10.0 110.252 175.048 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.69 145.87 45.23 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 125.91 1.684 . . . . 10.0 109.564 177.158 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 23.5 tp -127.96 104.17 7.65 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 125.424 1.49 . . . . 10.0 109.59 -169.132 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -94.95 102.61 14.45 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 108.07 -1.085 . . . . 10.0 108.07 179.174 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.1 mt -83.63 151.82 25.12 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 126.722 2.009 . . . . 10.0 111.321 174.589 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -68.16 142.29 55.78 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 111.636 0.236 . . . . 10.0 111.636 171.358 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -71.79 34.69 0.06 Allowed 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 129.529 3.132 . . . . 10.0 113.124 -174.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.1 tt -162.2 -23.72 0.05 OUTLIER 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 128.923 2.889 . . . . 10.0 111.761 -169.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 85.9 p -65.93 165.9 12.31 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.805 1.642 . . . . 10.0 113.613 169.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -146.17 94.89 2.53 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.88 1.672 . . . . 10.0 108.837 179.514 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -112.65 177.08 4.76 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.636 1.574 . . . . 10.0 111.61 175.71 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -85.54 146.06 43.42 Favored Pre-proline 0 CA--C 1.547 0.861 0 N-CA-C 113.705 1.002 . . . . 10.0 113.705 -167.643 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -74.8 44.03 1.05 Allowed 'Trans proline' 0 CA--C 1.548 1.189 1 C-N-CA 126.079 4.52 . . . . 10.0 114.408 -170.79 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.07 16.69 0.03 OUTLIER Glycine 0 CA--C 1.538 1.504 0 C-N-CA 126.74 2.114 . . . . 10.0 113.901 174.52 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 8.0 tt -66.05 -29.05 45.57 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 N-CA-C 114.819 1.415 . . . . 10.0 114.819 -167.924 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.6 p -86.18 -35.78 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 123.831 0.852 . . . . 10.0 112.178 169.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.89 -38.73 70.58 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.746 1.218 . . . . 10.0 111.182 174.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -63.85 -39.03 93.24 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 118.655 -0.688 . . . . 10.0 111.988 169.88 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.76 -42.62 90.66 Favored 'General case' 0 C--N 1.343 0.296 0 CA-C-N 119.711 1.141 . . . . 10.0 111.793 178.13 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.3 t -68.25 -47.46 77.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-O 118.611 -0.709 . . . . 10.0 110.415 178.168 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -59.55 -37.25 77.92 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.769 1.168 . . . . 10.0 112.847 172.518 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.89 -41.71 99.52 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.924 1.238 . . . . 10.0 111.519 174.123 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.65 97.07 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 118.582 -0.723 . . . . 10.0 111.884 169.766 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -65.04 -43.28 92.88 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 117.782 -1.104 . . . . 10.0 112.866 176.173 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.6 -41.45 96.2 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 120.135 1.334 . . . . 10.0 110.846 174.935 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.8 t -63.13 -48.21 79.45 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-O 118.695 -0.669 . . . . 10.0 110.442 178.306 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -61.21 -44.01 97.96 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.429 1.091 . . . . 10.0 112.112 176.179 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -58.92 -41.03 86.32 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.495 1.518 . . . . 10.0 112.023 177.394 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 51.9 m -79.08 -26.75 42.98 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.911 1.078 . . . . 10.0 113.911 170.852 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -65.64 -42.32 91.58 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 120.703 -1.248 . . . . 10.0 112.317 -176.025 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 N--CA 1.472 0.674 0 CA-C-N 119.528 1.058 . . . . 10.0 111.65 178.783 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 76.6 mt . . . . . 0 CA--C 1.533 0.318 0 CA-C-O 121.223 0.535 . . . . 10.0 111.03 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.9 t -138.82 -168.15 2.36 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.43 1.492 . . . . 10.0 109.883 171.888 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -47.19 -42.02 19.16 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.85 1.66 . . . . 10.0 112.854 -176.794 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.38 -48.52 68.2 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 123.736 0.684 . . . . 10.0 113.599 179.084 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.29 -40.76 94.27 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 118.481 1.14 . . . . 10.0 111.049 178.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mp -65.14 -43.5 91.69 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.732 0.813 . . . . 10.0 112.377 174.854 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -64.16 -37.1 86.24 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.11 0.868 . . . . 10.0 112.313 172.07 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -65.75 -44.05 87.08 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 118.985 0.811 . . . . 10.0 111.965 174.118 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.6 mt -64.92 -48.11 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-N 119.158 0.89 . . . . 10.0 110.201 175.016 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.8 m -59.37 -38.15 79.73 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.944 0.793 . . . . 10.0 112.226 175.732 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.1 m -65.64 -43.55 89.11 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.916 0.886 . . . . 10.0 112.164 172.831 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -58.65 -41.39 85.96 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.488 0.715 . . . . 10.0 111.794 173.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.5 mt -65.77 -48.36 72.08 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.41 0.684 . . . . 10.0 111.829 175.003 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -57.49 -44.77 85.22 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.222 0.609 . . . . 10.0 112.027 175.584 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -64.47 -41.23 96.62 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.452 0.701 . . . . 10.0 111.757 174.59 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.8 m -61.19 -47.2 87.25 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.654 0.782 . . . . 10.0 111.279 179.212 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 30.5 mt -65.16 -40.62 89.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-O 119.338 -0.363 . . . . 10.0 110.561 175.177 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.5 m -59.24 -51.03 71.71 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.355 0.662 . . . . 10.0 111.853 177.493 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.43 -38.83 78.25 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 115.01 1.485 . . . . 10.0 115.01 169.487 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.443 ' CD1' ' HA ' ' A' ' 74' ' ' ALA . 27.7 t80 -66.85 -44.54 80.77 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 119.534 1.061 . . . . 10.0 110.547 179.71 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 53.6 mt -60.07 -53.14 52.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 124.625 1.17 . . . . 10.0 110.039 173.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.05 -14.36 35.27 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.15 1.167 . . . . 10.0 114.15 -179.645 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -114.21 11.09 17.4 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.813 1.245 . . . . 10.0 112.513 175.732 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.8 ttm-85 -129.33 -24.52 2.81 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 115.079 1.511 . . . . 10.0 115.079 173.775 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.8 p -150.03 148.17 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.227 1.411 . . . . 10.0 109.333 -179.017 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 40.3 t -87.37 136.25 33.01 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 116.151 1.908 . . . . 10.0 116.151 -166.707 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.84 -24.48 3.56 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.107 1.363 . . . . 10.0 113.069 166.205 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -70.91 -22.13 62.29 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.398 1.258 . . . . 10.0 114.398 173.179 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -111.38 -29.47 7.79 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.096 1.358 . . . . 10.0 111.697 179.347 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.1 mm -71.89 113.93 9.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 C-N-CA 124.77 1.228 . . . . 10.0 109.037 168.893 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 25.2 t -69.21 -50.71 50.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 C-N-CA 124.093 0.957 . . . . 10.0 109.592 168.689 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -164.05 177.11 8.71 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.474 0.71 . . . . 10.0 112.049 176.764 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 35.0 pt -137.35 143.27 34.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 125.021 1.329 . . . . 10.0 112.255 175.902 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -115.07 107.27 15.12 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 123.985 0.914 . . . . 10.0 109.022 168.375 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.5 mm -103.3 124.96 57.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 N-CA-C 107.208 -1.404 . . . . 10.0 107.208 169.023 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.9 m -116.42 117.67 30.58 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 108.367 -0.975 . . . . 10.0 108.367 175.178 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -115.84 118.41 58.7 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 C-N-CA 126.96 2.104 . . . . 10.0 109.257 -176.283 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -114.55 138.96 49.99 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 124.758 1.223 . . . . 10.0 108.598 178.54 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.7 p -139.5 131.44 34.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 C-N-CA 124.585 1.154 . . . . 10.0 108.67 178.882 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.41 159.97 43.1 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.925 1.29 . . . . 10.0 110.926 -170.36 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -144.38 99.64 3.4 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.733 0.778 . . . . 10.0 109.298 179.383 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -131.27 80.69 1.95 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.705 1.602 . . . . 10.0 108.675 -176.434 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.3 t70 64.71 -44.04 0.31 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 127.245 2.218 . . . . 10.0 112.054 -167.386 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -98.18 155.02 17.36 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.647 1.579 . . . . 10.0 110.219 166.867 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.1 tp -85.23 129.26 34.84 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 106.161 -1.792 . . . . 10.0 106.161 165.829 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -129.38 137.42 50.93 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.403 0.681 . . . . 10.0 109.87 179.796 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.4 t -136.1 130.75 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 N-CA-C 107.619 -1.252 . . . . 10.0 107.619 174.492 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -137.02 131.91 33.5 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 124.352 1.061 . . . . 10.0 108.637 -171.725 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.4 mt -132.09 128.11 58.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 C-N-CA 123.699 0.8 . . . . 10.0 109.073 -170.218 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.8 m -127.65 140.12 52.29 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 125.521 1.528 . . . . 10.0 108.909 176.146 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.34 149.34 52.59 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.295 0.638 . . . . 10.0 112.28 179.458 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.08 141.35 48.16 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.383 1.473 . . . . 10.0 109.129 168.546 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.2 tp -128.01 104.03 7.56 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 125.82 1.648 . . . . 10.0 108.267 -169.502 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -95.17 105.89 17.86 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 -172.475 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -82.27 151.92 26.58 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 125.057 1.343 . . . . 10.0 111.146 171.572 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.493 ' C ' ' H ' ' A' ' 63' ' ' LEU . 24.9 t0 -56.97 147.28 24.33 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.595 -0.73 . . . . 10.0 111.001 167.706 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -66.46 24.25 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 126.436 1.895 . . . . 10.0 113.899 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.493 ' H ' ' C ' ' A' ' 61' ' ' ASP . 0.5 OUTLIER -149.84 14.01 0.82 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 128.603 2.761 . . . . 10.0 111.492 -173.633 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.0 m -153.03 156.43 38.78 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 120.027 -1.671 . . . . 10.0 112.379 175.397 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -145.45 94.79 2.56 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.811 1.245 . . . . 10.0 109.55 -168.121 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.97 167.12 4.03 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.812 0.845 . . . . 10.0 111.926 168.913 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -85.32 144.21 40.38 Favored Pre-proline 0 CA--C 1.546 0.809 0 O-C-N 121.035 -1.041 . . . . 10.0 111.976 -168.802 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -72.49 66.26 3.7 Favored 'Trans proline' 0 C--N 1.356 0.938 1 C-N-CA 125.772 4.315 . . . . 10.0 112.458 -173.45 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 177.35 -20.18 0.04 OUTLIER Glycine 0 CA--C 1.533 1.2 0 C-N-CA 126.396 1.951 . . . . 10.0 113.486 179.912 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 26.6 mt -57.84 -35.98 53.66 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-N 119.695 1.747 . . . . 10.0 112.313 -178.285 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 62.1 t -64.92 -57.95 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.203 1.001 . . . . 10.0 110.0 173.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -53.31 -45.33 68.94 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 126.358 1.863 . . . . 10.0 110.9 -178.47 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -63.86 -34.39 77.83 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.983 0.913 . . . . 10.0 111.644 175.139 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.443 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . . . -70.04 -43.0 72.16 Favored 'General case' 0 C--N 1.342 0.261 0 CA-C-N 119.529 1.059 . . . . 10.0 111.685 178.837 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.1 t -72.0 -40.39 67.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-O 119.514 -0.279 . . . . 10.0 111.0 177.699 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -58.85 -37.17 75.88 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.636 1.575 . . . . 10.0 112.319 171.685 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.26 -42.85 99.19 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.192 -0.943 . . . . 10.0 111.911 170.184 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.01 -42.35 99.81 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.005 0.82 . . . . 10.0 112.554 172.232 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -62.39 -43.12 99.58 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.282 0.946 . . . . 10.0 111.851 177.894 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 28.9 mtt85 -71.12 -39.34 72.09 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 119.206 0.912 . . . . 10.0 112.649 173.845 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.3 t -65.86 -24.57 66.9 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 118.036 -0.983 . . . . 10.0 113.056 175.892 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 45.5 tp -77.95 -47.13 19.31 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 124.094 0.958 . . . . 10.0 111.347 172.017 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -66.26 -41.17 90.29 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 118.218 0.463 . . . . 10.0 111.071 179.737 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.5 t -69.68 -18.05 63.53 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 113.656 0.984 . . . . 10.0 113.656 173.66 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -81.33 -42.42 20.58 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.444 1.02 . . . . 10.0 111.297 168.387 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.5 mt . . . . . 0 N--CA 1.469 0.479 0 CA-C-O 118.529 -0.748 . . . . 10.0 112.62 175.697 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.2 mt . . . . . 0 CA--C 1.532 0.266 0 CA-C-O 121.69 0.757 . . . . 10.0 110.292 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.409 ' C ' ' H ' ' A' ' 9' ' ' GLY . 6.3 t -147.44 -178.25 6.14 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.87 2.068 . . . . 10.0 107.906 -172.252 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -63.52 29.6 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.955 1 C-N-CA 131.853 4.061 . . . . 10.0 114.327 -177.346 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.409 ' H ' ' C ' ' A' ' 7' ' ' THR . . . -142.8 -61.22 0.02 OUTLIER Glycine 0 CA--C 1.528 0.859 0 C-N-CA 128.084 2.754 . . . . 10.0 109.299 172.577 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.09 -39.82 83.36 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 118.128 0.964 . . . . 10.0 112.545 176.545 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.7 mt -65.32 -39.91 93.04 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.489 -0.757 . . . . 10.0 112.181 177.662 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -70.12 -42.12 73.04 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.215 0.606 . . . . 10.0 111.405 175.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -57.14 -44.45 83.41 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.5 0.72 . . . . 10.0 110.926 172.792 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 75.1 mt -64.78 -44.03 96.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 124.244 1.018 . . . . 10.0 111.202 176.394 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.8 t -58.72 -42.98 89.97 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.387 0.54 . . . . 10.0 111.191 174.132 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.6 p -61.87 -42.85 99.56 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.957 0.903 . . . . 10.0 112.536 174.717 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -61.69 -42.59 99.15 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 124.765 1.226 . . . . 10.0 111.421 178.197 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.5 mt -70.19 -45.13 67.28 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 122.842 0.457 . . . . 10.0 111.584 178.07 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -59.75 -48.42 81.73 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.49 0.587 . . . . 10.0 111.593 175.719 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -62.39 -37.41 85.67 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 118.634 -0.698 . . . . 10.0 111.852 175.117 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.6 m -61.04 -44.11 97.88 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.622 1.101 . . . . 10.0 111.293 178.283 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.7 mt -65.55 -45.52 92.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-N 118.086 0.403 . . . . 10.0 110.848 174.461 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.1 t -57.4 -50.3 73.44 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 122.87 0.468 . . . . 10.0 112.173 177.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.51 -38.67 81.55 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 114.8 1.407 . . . . 10.0 114.8 171.913 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -64.15 -45.69 87.35 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 119.91 1.232 . . . . 10.0 110.973 175.098 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.8 mt -61.15 -53.0 55.03 Favored 'Isoleucine or valine' 0 C--N 1.342 0.25 0 C-N-CA 124.13 0.972 . . . . 10.0 109.848 177.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.65 -20.74 65.1 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.872 1.064 . . . . 10.0 113.872 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.6 mtmm -95.91 -0.06 51.34 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.078 0.951 . . . . 10.0 113.466 173.345 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -125.23 -27.88 3.45 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.475 1.287 . . . . 10.0 114.475 -178.162 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.7 p -144.43 153.64 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 125.903 1.681 . . . . 10.0 110.962 170.543 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 45.3 t -76.59 122.69 24.98 Favored 'General case' 0 N--CA 1.463 0.209 0 O-C-N 121.218 -0.926 . . . . 10.0 111.782 178.069 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.46 -24.78 5.4 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.215 1.406 . . . . 10.0 113.18 168.239 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.7 -12.67 61.7 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.856 1.058 . . . . 10.0 113.856 174.027 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -94.82 -10.84 30.18 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.1 1.36 . . . . 10.0 112.035 169.8 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 56.4 mt -94.36 125.85 46.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 125.39 1.476 . . . . 10.0 108.402 -177.534 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.1 t -69.0 -50.99 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 C-N-CA 124.49 1.116 . . . . 10.0 109.118 169.627 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -162.98 174.73 11.95 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.16 0.8 . . . . 10.0 113.16 170.588 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.4 pt -132.26 143.15 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 C-N-CA 125.833 1.653 . . . . 10.0 110.717 170.56 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -121.9 127.0 49.94 Favored 'General case' 0 N--CA 1.462 0.141 0 N-CA-C 108.139 -1.06 . . . . 10.0 108.139 169.708 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 59.7 mt -131.18 126.09 58.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 108.057 -1.09 . . . . 10.0 108.057 -178.534 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 52.9 m -119.67 117.87 29.42 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 125.111 1.364 . . . . 10.0 108.153 -179.633 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.6 t -115.56 122.04 68.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 N-CA-C 107.204 -1.406 . . . . 10.0 107.204 171.787 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.8 mt -117.81 139.26 51.33 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 125.207 1.403 . . . . 10.0 109.062 175.817 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.2 p -135.53 138.37 48.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 C-N-CA 124.274 1.029 . . . . 10.0 109.639 179.664 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -144.48 159.89 42.0 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.597 1.159 . . . . 10.0 110.935 179.41 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -137.05 105.37 5.73 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 106.983 -1.488 . . . . 10.0 106.983 173.861 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.404 ' C ' ' H ' ' A' ' 49' ' ' GLU . 9.4 t -131.14 84.63 2.2 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.223 1.409 . . . . 10.0 107.547 -174.568 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.2 t70 66.74 -31.43 0.16 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 127.379 2.272 . . . . 10.0 113.121 -166.802 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.404 ' H ' ' C ' ' A' ' 47' ' ' THR . 0.0 OUTLIER -140.44 160.31 40.28 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 127.737 2.415 . . . . 10.0 111.001 169.858 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 53.9 tp -84.82 129.25 34.84 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.828 2.051 . . . . 10.0 110.178 -174.164 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -133.4 147.6 51.77 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.96 1.304 . . . . 10.0 110.332 178.652 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 89.5 t -135.91 142.25 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 C-N-CA 125.625 1.57 . . . . 10.0 108.043 176.413 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -130.3 134.93 47.57 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 125.335 1.454 . . . . 10.0 107.851 176.757 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.0 mt -132.06 131.93 61.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 C-N-CA 123.149 0.58 . . . . 10.0 109.832 -179.636 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.7 m -131.75 137.83 48.36 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.639 1.176 . . . . 10.0 109.552 168.654 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.39 144.44 51.21 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.695 0.798 . . . . 10.0 110.975 175.918 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -129.23 138.71 51.84 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 126.351 1.86 . . . . 10.0 109.373 -177.063 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -123.07 121.28 35.65 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 126.158 1.783 . . . . 10.0 108.245 -173.903 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -114.08 102.76 10.47 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 108.197 -1.038 . . . . 10.0 108.197 174.359 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -82.88 151.97 25.78 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 125.508 1.523 . . . . 10.0 111.232 174.562 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.459 ' C ' ' H ' ' A' ' 63' ' ' LEU . 40.3 t0 -62.32 147.46 48.15 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.935 168.293 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -64.97 30.8 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 128.61 2.764 . . . . 10.0 113.401 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.459 ' H ' ' C ' ' A' ' 61' ' ' ASP . 6.1 tt -148.18 -8.37 0.4 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 128.119 2.568 . . . . 10.0 112.916 -169.316 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.03 154.85 47.0 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.643 1.11 . . . . 10.0 112.374 -178.14 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -136.47 94.69 3.04 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.942 1.697 . . . . 10.0 108.364 -174.44 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.68 -175.23 0.65 Allowed 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 125.813 1.645 . . . . 10.0 112.728 170.4 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.04 144.9 42.19 Favored Pre-proline 0 CA--C 1.546 0.809 0 O-C-N 120.64 -1.287 . . . . 10.0 109.693 -169.882 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -73.17 42.19 0.62 Allowed 'Trans proline' 0 CA--C 1.548 1.188 1 C-N-CA 125.658 4.239 . . . . 10.0 113.802 -176.822 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.1 13.9 0.02 OUTLIER Glycine 0 CA--C 1.539 1.546 0 C-N-CA 127.925 2.679 . . . . 10.0 113.552 176.328 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.7 tt -59.99 -36.54 67.79 Favored 'Isoleucine or valine' 0 C--N 1.349 0.57 0 CA-C-N 119.175 1.487 . . . . 10.0 113.555 -168.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.9 p -86.02 -39.41 13.6 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.277 0 C-N-CA 124.46 1.104 . . . . 10.0 111.266 178.752 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.47 -47.01 73.45 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.872 1.269 . . . . 10.0 110.139 174.405 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.06 -36.88 85.46 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 118.187 -0.911 . . . . 10.0 112.575 171.093 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.46 -44.15 91.98 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 120.359 1.436 . . . . 10.0 112.05 176.777 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.1 t -72.19 -41.14 66.76 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 O-C-N 121.962 -0.461 . . . . 10.0 110.94 178.927 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -58.83 -40.28 83.73 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.262 1.025 . . . . 10.0 110.952 171.408 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.07 -37.35 86.85 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 120.744 -1.222 . . . . 10.0 112.377 171.522 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.3 -43.68 93.96 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.506 1.048 . . . . 10.0 112.14 170.366 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -64.7 -43.09 94.6 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.333 0.969 . . . . 10.0 112.79 176.65 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 44.0 mtt180 -70.0 -32.73 71.07 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.706 0.802 . . . . 10.0 112.122 176.1 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 45.7 m -65.51 -43.26 90.63 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 118.952 -0.547 . . . . 10.0 110.517 169.601 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 39.4 tp -62.39 -47.12 85.56 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-O 118.353 -0.832 . . . . 10.0 112.478 179.236 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -65.63 -40.89 93.02 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.64 1.109 . . . . 10.0 111.502 177.022 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.3 m -63.21 -29.82 71.08 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.977 0.911 . . . . 10.0 112.74 175.203 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -81.11 -38.27 27.53 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.433 1.493 . . . . 10.0 112.621 175.846 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.2 mm? . . . . . 0 N--CA 1.474 0.728 0 C-N-CA 124.854 1.262 . . . . 10.0 111.889 170.127 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 mp . . . . . 0 CA--C 1.537 0.467 0 N-CA-C 108.93 -0.767 . . . . 10.0 108.93 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.8 t -144.09 171.85 13.7 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 126.05 1.74 . . . . 10.0 107.82 179.199 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.2 mp0 -50.48 -34.42 24.86 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 119.329 0.968 . . . . 10.0 113.479 -170.525 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.86 -63.23 5.27 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 123.93 0.776 . . . . 10.0 113.603 172.365 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -65.23 -32.86 74.74 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.605 1.162 . . . . 10.0 111.745 -178.728 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 93.1 mt -70.08 -39.69 75.45 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.005 0.922 . . . . 10.0 112.5 173.148 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -65.69 -38.33 88.96 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 119.528 1.058 . . . . 10.0 111.615 170.802 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.57 -43.64 84.71 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 118.852 0.751 . . . . 10.0 112.068 172.204 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.6 mt -65.42 -48.39 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-N 118.471 0.578 . . . . 10.0 110.606 174.524 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.5 m -58.91 -39.89 82.86 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.181 0.9 . . . . 10.0 112.427 178.167 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.2 t -65.97 -43.57 87.49 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.867 1.267 . . . . 10.0 112.167 172.857 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -57.77 -41.67 82.48 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.033 0.833 . . . . 10.0 111.987 173.566 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.6 mt -66.97 -45.15 78.57 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.283 0.633 . . . . 10.0 111.871 176.334 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 -57.36 -49.62 75.58 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.075 0.55 . . . . 10.0 111.225 174.471 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -61.23 -40.0 92.41 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.099 0.559 . . . . 10.0 111.909 176.275 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 95.8 m -61.0 -44.64 97.12 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.321 0.649 . . . . 10.0 111.252 179.473 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.0 mt -71.08 -41.0 76.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-O 118.077 -0.963 . . . . 10.0 111.102 177.439 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.2 t -54.96 -51.63 65.53 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 118.601 0.637 . . . . 10.0 111.382 173.255 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.73 -39.26 76.86 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 115.374 1.62 . . . . 10.0 115.374 171.69 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -66.87 -44.49 80.82 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.766 1.166 . . . . 10.0 110.546 179.38 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 85.8 mt -62.32 -50.71 78.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 123.535 0.734 . . . . 10.0 109.978 175.93 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.8 mp -61.27 -24.29 66.29 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.641 0.978 . . . . 10.0 113.641 177.802 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -97.69 8.28 44.95 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.221 1.009 . . . . 10.0 113.605 173.852 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 51.0 mtt180 -119.69 -34.1 3.85 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.87 1.433 . . . . 10.0 114.87 168.172 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.1 t -136.79 139.21 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.683 1.193 . . . . 10.0 109.377 -177.79 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.0 t -62.99 120.55 11.6 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 121.734 0.778 . . . . 10.0 111.434 179.641 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.71 -25.17 10.26 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.209 1.404 . . . . 10.0 113.048 169.589 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -75.38 -2.13 27.05 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.796 0.838 . . . . 10.0 112.753 175.54 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -121.32 8.92 10.29 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.171 1.388 . . . . 10.0 111.485 169.024 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.0 mt -106.38 128.14 61.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 C-N-CA 125.858 1.663 . . . . 10.0 107.894 173.845 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.4 t -68.89 -52.97 29.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 123.261 0.624 . . . . 10.0 109.323 171.079 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -165.82 177.07 7.43 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.552 0.741 . . . . 10.0 112.792 171.296 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.57 143.0 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 C-N-CA 125.201 1.401 . . . . 10.0 109.753 168.437 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -130.37 120.02 23.64 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 106.981 -1.488 . . . . 10.0 106.981 170.029 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.3 mm -106.93 113.58 43.79 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.244 0 N-CA-C 107.149 -1.426 . . . . 10.0 107.149 175.759 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 45.3 m -87.08 115.76 24.69 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 106.34 -1.726 . . . . 10.0 106.34 179.794 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -115.91 118.5 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 C-N-CA 125.989 1.716 . . . . 10.0 110.691 -177.959 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 71.0 mt -117.84 139.14 51.52 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 124.627 1.171 . . . . 10.0 109.722 171.099 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.4 p -139.81 131.9 34.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 C-N-CA 123.128 0.571 . . . . 10.0 109.887 174.2 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -146.29 159.09 43.82 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.544 1.537 . . . . 10.0 110.632 -168.365 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -146.34 105.47 3.9 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 108.76 -0.83 . . . . 10.0 108.76 176.409 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.432 ' C ' ' H ' ' A' ' 49' ' ' GLU . 57.1 m -131.84 94.59 3.53 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 120.709 -1.244 . . . . 10.0 110.058 174.087 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.5 t70 63.75 -30.73 0.1 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 127.01 2.124 . . . . 10.0 114.055 -169.307 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.432 ' H ' ' C ' ' A' ' 47' ' ' THR . 0.0 OUTLIER -136.71 160.18 39.62 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 128.398 2.679 . . . . 10.0 110.528 172.208 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 47.6 tp -85.0 129.22 34.83 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.419 1.888 . . . . 10.0 109.941 -176.484 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -122.86 136.44 54.87 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.445 1.098 . . . . 10.0 109.129 173.393 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 10.5 p -131.12 142.43 43.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 C-N-CA 125.268 1.427 . . . . 10.0 107.161 168.748 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -127.01 129.46 48.12 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 108.016 -1.105 . . . . 10.0 108.016 169.809 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.8 mt -124.51 109.2 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.83 0 N-CA-C 103.876 -2.638 . . . . 10.0 103.876 168.521 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.7 m -119.64 135.51 54.78 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 104.994 -2.225 . . . . 10.0 104.994 178.902 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -129.95 138.19 50.73 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 114.079 1.14 . . . . 10.0 114.079 -166.716 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -123.57 121.84 36.65 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.773 1.629 . . . . 10.0 107.977 -176.181 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.1 tt -127.8 113.15 15.58 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 107.587 -1.264 . . . . 10.0 107.587 -174.714 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -109.44 103.63 12.57 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.495 0.718 . . . . 10.0 109.607 -170.524 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.1 mt -82.34 151.9 26.5 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.245 1.418 . . . . 10.0 112.553 179.883 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -61.7 138.4 58.31 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.613 0.765 . . . . 10.0 109.958 168.599 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.1 pm0 -65.0 -8.57 16.5 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 115.026 1.491 . . . . 10.0 115.026 -178.391 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.26 0.77 43.83 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.418 1.487 . . . . 10.0 112.229 170.288 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.0 t -89.84 171.24 9.75 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.046 1.338 . . . . 10.0 112.85 178.16 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -159.05 118.17 2.99 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.518 1.927 . . . . 10.0 107.806 177.573 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -138.46 179.68 6.32 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.218 1.807 . . . . 10.0 111.293 174.892 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -85.18 138.45 36.71 Favored Pre-proline 0 CA--C 1.546 0.822 0 O-C-N 120.904 -1.122 . . . . 10.0 112.555 -166.331 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -74.38 49.0 1.95 Allowed 'Trans proline' 0 CA--C 1.547 1.131 1 C-N-CA 126.26 4.64 . . . . 10.0 114.009 -169.379 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.03 -1.51 0.03 OUTLIER Glycine 0 CA--C 1.536 1.359 0 C-N-CA 125.573 1.558 . . . . 10.0 115.049 178.677 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.1 tt -55.57 -22.65 12.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-N 119.544 1.672 . . . . 10.0 115.485 -171.77 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.6 p -81.71 -27.49 9.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 C-N-CA 125.05 1.34 . . . . 10.0 113.736 175.23 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -60.21 -43.13 96.21 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 120.218 1.372 . . . . 10.0 110.284 178.448 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -64.02 -30.8 71.85 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.16 0.984 . . . . 10.0 112.302 171.678 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.47 -44.67 78.01 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-N 119.209 0.913 . . . . 10.0 111.421 173.732 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.6 t -68.07 -41.51 84.4 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 O-C-N 122.203 -0.311 . . . . 10.0 110.961 177.7 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -58.77 -40.82 85.03 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.604 1.162 . . . . 10.0 111.121 174.062 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.32 -37.94 87.54 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.623 -0.673 . . . . 10.0 112.505 173.032 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.15 -40.21 78.34 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-N 118.863 0.756 . . . . 10.0 112.933 171.812 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -61.63 -43.0 99.67 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.374 0.988 . . . . 10.0 112.029 174.074 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 73.2 mtt-85 -70.48 -35.42 73.26 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.438 -0.788 . . . . 10.0 112.234 175.007 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 46.9 m -63.15 -40.59 98.0 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.907 0.483 . . . . 10.0 111.194 172.155 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 31.9 tp -64.15 -47.04 81.43 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 123.687 0.795 . . . . 10.0 111.449 173.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -63.12 -41.27 99.3 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.467 0.576 . . . . 10.0 111.117 178.534 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.1 t -67.76 -31.94 72.2 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 112.949 0.722 . . . . 10.0 112.949 174.774 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -65.29 -42.14 93.44 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.129 -0.982 . . . . 10.0 111.545 170.143 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 C--N 1.345 0.378 0 CA-C-O 117.406 -1.283 . . . . 10.0 112.345 168.46 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 80.1 mt . . . . . 0 CA--C 1.536 0.407 0 CA-C-O 120.922 0.392 . . . . 10.0 111.119 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.9 t -141.29 -168.53 2.65 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.542 1.537 . . . . 10.0 109.98 173.183 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -48.02 -39.05 18.62 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.464 1.505 . . . . 10.0 113.329 -173.866 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.11 -47.5 64.48 Favored Glycine 0 CA--C 1.53 1.025 0 C-N-CA 123.55 0.595 . . . . 10.0 113.385 178.387 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.48 -39.98 85.25 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 118.107 0.954 . . . . 10.0 110.905 178.749 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mp -65.47 -42.65 92.03 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.106 0.962 . . . . 10.0 111.847 175.145 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -61.13 -46.17 91.67 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 119.058 0.844 . . . . 10.0 111.361 170.574 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -60.58 -44.01 96.68 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.883 0.873 . . . . 10.0 111.91 179.004 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.5 mt -64.89 -42.94 96.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-N 118.507 0.594 . . . . 10.0 110.466 174.411 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.6 p -58.71 -40.83 84.79 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 119.02 0.827 . . . . 10.0 111.981 174.824 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.0 t -68.63 -42.11 78.49 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.778 1.231 . . . . 10.0 111.515 176.941 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -60.17 -42.77 95.67 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 118.718 0.69 . . . . 10.0 111.926 178.929 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -76.89 -37.47 55.41 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 118.084 -0.96 . . . . 10.0 113.181 175.218 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -58.55 -44.34 89.63 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 120.081 1.309 . . . . 10.0 111.924 173.791 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -65.09 -41.73 94.73 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 118.648 -0.691 . . . . 10.0 111.531 171.819 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.5 m -60.91 -47.37 86.72 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.091 0.86 . . . . 10.0 111.155 -179.185 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.2 mt -65.16 -43.38 95.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-N 118.699 0.681 . . . . 10.0 110.463 175.749 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.8 m -57.3 -49.06 77.3 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.313 0.506 . . . . 10.0 111.469 179.365 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -65.25 -38.71 91.2 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.287 0.635 . . . . 10.0 112.031 176.143 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -70.52 -35.39 73.15 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 118.802 0.728 . . . . 10.0 111.466 -179.909 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.5 mt -63.44 -53.07 50.07 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-O 118.1 -0.953 . . . . 10.0 108.74 169.51 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -59.15 -34.54 72.2 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.55 1.068 . . . . 10.0 113.74 -179.447 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.73 -7.38 58.58 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.478 0.918 . . . . 10.0 113.478 174.67 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -113.77 -27.1 7.91 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 116.118 1.896 . . . . 10.0 116.118 176.73 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.06 137.69 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 126.749 2.02 . . . . 10.0 109.282 174.709 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.2 t -75.58 136.3 40.52 Favored 'General case' 0 N--CA 1.464 0.226 0 O-C-N 121.208 -0.932 . . . . 10.0 111.327 -177.043 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.92 -24.85 3.93 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.578 1.151 . . . . 10.0 113.395 169.208 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -64.08 -20.3 65.85 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.823 1.192 . . . . 10.0 113.747 171.745 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -93.09 -11.81 32.02 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.933 1.693 . . . . 10.0 112.125 176.594 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.0 mm -110.28 128.22 66.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 127.27 2.228 . . . . 10.0 110.08 -168.204 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.4 t -70.04 -52.67 28.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 123.819 0.847 . . . . 10.0 110.387 169.578 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -164.3 177.22 8.46 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.46 0.704 . . . . 10.0 112.434 178.844 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 21.2 pt -133.97 143.09 39.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 125.444 1.498 . . . . 10.0 111.818 172.403 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -116.49 118.37 32.48 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 125.052 1.341 . . . . 10.0 108.741 168.703 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.2 mt -131.15 124.57 55.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 N-CA-C 108.882 -0.784 . . . . 10.0 108.882 177.036 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 79.9 m -119.85 128.77 53.99 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 125.497 1.519 . . . . 10.0 109.155 174.555 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.0 t -115.52 124.81 72.39 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 N-CA-C 106.318 -1.734 . . . . 10.0 106.318 168.871 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -117.66 138.94 51.64 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 125.035 1.334 . . . . 10.0 108.899 178.82 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.4 p -139.67 131.14 33.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 C-N-CA 124.438 1.095 . . . . 10.0 108.523 -179.168 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -149.62 160.06 43.81 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.792 0.837 . . . . 10.0 111.301 -177.937 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -139.26 102.8 4.59 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 107.796 -1.186 . . . . 10.0 107.796 -175.678 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.2 t -131.17 80.88 1.96 Allowed 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.119 1.368 . . . . 10.0 108.166 -174.129 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.0 t70 64.64 -37.5 0.21 Allowed 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 127.656 2.382 . . . . 10.0 113.054 -166.854 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -116.2 152.21 34.19 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 127.496 2.318 . . . . 10.0 109.711 169.763 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 54.4 tp -85.3 129.04 34.89 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.777 1.231 . . . . 10.0 109.302 176.179 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -128.43 147.11 50.64 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.68 1.192 . . . . 10.0 110.183 -177.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 74.4 t -135.73 141.75 41.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 C-N-CA 125.704 1.602 . . . . 10.0 107.239 173.821 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -129.14 141.84 51.06 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 125.538 1.535 . . . . 10.0 108.355 170.098 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 37.6 mt -132.18 123.11 49.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 N-CA-C 108.099 -1.075 . . . . 10.0 108.099 171.496 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.1 t -126.86 122.57 35.04 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 125.022 1.329 . . . . 10.0 108.381 179.483 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.19 146.59 52.39 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.118 0.967 . . . . 10.0 110.361 -177.734 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -145.85 147.62 32.0 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 125.386 1.474 . . . . 10.0 109.311 171.919 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.9 pp -127.88 143.96 51.1 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-O 122.33 1.062 . . . . 10.0 111.818 172.206 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -106.87 109.58 21.52 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 106.936 -1.505 . . . . 10.0 106.936 -177.879 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.0 mt -82.16 151.71 26.8 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 124.183 0.993 . . . . 10.0 109.984 176.68 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.451 ' C ' ' H ' ' A' ' 63' ' ' LEU . 28.8 t0 -64.27 147.25 52.86 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 120.396 -0.521 . . . . 10.0 109.657 167.487 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -66.81 14.82 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.191 1.397 . . . . 10.0 114.62 -177.576 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.451 ' H ' ' C ' ' A' ' 61' ' ' ASP . 34.9 tp -131.2 -3.83 3.9 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 128.501 2.72 . . . . 10.0 112.092 178.535 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 53.9 m -95.5 152.49 18.38 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.822 1.249 . . . . 10.0 112.118 -178.355 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -142.11 94.4 2.66 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 123.034 1.397 . . . . 10.0 110.578 -179.503 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.22 -176.6 4.02 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.6 1.56 . . . . 10.0 112.066 172.686 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -85.54 145.54 42.28 Favored Pre-proline 0 CA--C 1.547 0.836 0 O-C-N 121.18 -0.95 . . . . 10.0 112.003 -171.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -74.41 45.84 1.3 Allowed 'Trans proline' 0 CA--C 1.548 1.22 1 C-N-CA 125.825 4.35 . . . . 10.0 113.961 -174.707 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.1 14.98 0.02 OUTLIER Glycine 0 CA--C 1.539 1.547 0 C-N-CA 126.991 2.234 . . . . 10.0 114.255 176.127 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 8.0 tt -69.6 -18.22 22.08 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-N 118.469 1.134 . . . . 10.0 113.654 -170.574 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 79.4 t -78.92 -54.48 11.71 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.292 0 C-N-CA 124.882 1.273 . . . . 10.0 109.245 169.813 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -52.89 -44.18 66.7 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 126.222 1.809 . . . . 10.0 111.559 -176.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -64.04 -33.27 75.36 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.702 0.631 . . . . 10.0 112.702 174.078 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.33 -40.01 67.73 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 122.067 -0.395 . . . . 10.0 111.344 175.925 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.7 t -70.55 -41.15 77.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-O 118.6 -0.714 . . . . 10.0 111.005 177.915 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -58.7 -39.57 81.15 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.748 1.158 . . . . 10.0 111.321 170.297 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.89 -37.79 88.32 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.905 0.775 . . . . 10.0 112.039 173.81 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.02 -44.29 85.12 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.326 0.966 . . . . 10.0 113.174 170.663 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -60.92 -43.1 99.07 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.332 0.969 . . . . 10.0 111.688 175.887 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.5 mtt-85 -72.4 -32.83 66.7 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.993 0.738 . . . . 10.0 112.993 176.425 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.2 t -63.09 -43.66 97.9 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.733 0.813 . . . . 10.0 110.75 170.024 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 45.2 tp -61.0 -47.1 88.01 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 118.82 0.736 . . . . 10.0 111.823 174.843 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -65.26 -41.36 94.34 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.285 0.948 . . . . 10.0 111.47 177.472 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.1 t -68.11 -19.22 64.82 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.545 0.943 . . . . 10.0 113.545 175.381 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -81.02 -40.97 23.43 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.46 1.504 . . . . 10.0 111.218 172.562 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.6 mm? . . . . . 0 N--CA 1.469 0.52 0 CA-C-N 119.455 1.025 . . . . 10.0 111.828 168.532 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.0 mt . . . . . 0 CA--C 1.535 0.373 0 CA-C-O 120.767 0.318 . . . . 10.0 110.986 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.402 ' C ' ' H ' ' A' ' 9' ' ' GLY . 13.6 t -153.16 -169.19 3.25 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.915 1.286 . . . . 10.0 110.392 -179.455 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -59.53 24.51 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 130.666 3.586 . . . . 10.0 115.563 -179.051 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.402 ' H ' ' C ' ' A' ' 7' ' ' THR . . . -144.93 -50.91 0.03 OUTLIER Glycine 0 CA--C 1.527 0.815 0 C-N-CA 126.143 1.83 . . . . 10.0 110.743 173.337 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -65.29 -38.48 90.36 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.596 -0.944 . . . . 10.0 112.387 175.739 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.9 mt -69.26 -35.49 76.15 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.695 -0.628 . . . . 10.0 111.607 173.038 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -64.56 -45.3 87.68 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.334 0.654 . . . . 10.0 110.646 173.738 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -59.85 -37.88 80.51 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.815 0.846 . . . . 10.0 112.505 172.893 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.4 mt -64.58 -40.27 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 O-C-N 120.822 -1.174 . . . . 10.0 110.418 172.636 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.3 p -60.3 -38.9 85.06 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.953 0.797 . . . . 10.0 112.327 171.354 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.03 -43.97 93.97 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.334 1.454 . . . . 10.0 111.509 174.815 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -60.98 -42.68 98.85 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.021 0.928 . . . . 10.0 111.52 176.041 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.8 mt -71.26 -46.72 60.34 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.042 0.537 . . . . 10.0 111.83 178.634 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -58.3 -47.97 81.99 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 118.598 0.635 . . . . 10.0 111.401 175.035 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -60.64 -40.85 93.5 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 119.018 -0.515 . . . . 10.0 111.447 175.111 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.6 m -61.07 -46.69 89.63 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 118.745 0.702 . . . . 10.0 111.611 179.409 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.4 mt -63.52 -45.85 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-N 118.597 0.635 . . . . 10.0 110.384 174.223 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.2 t -58.71 -50.5 73.65 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.428 0.558 . . . . 10.0 112.112 -179.327 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -63.51 -38.82 92.6 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-O 118.047 -0.978 . . . . 10.0 111.763 174.303 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -62.22 -45.7 92.18 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 120.311 1.414 . . . . 10.0 111.057 175.754 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.5 mt -59.94 -52.95 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-O 118.118 -0.944 . . . . 10.0 108.854 177.849 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.1 mp -60.74 -27.94 68.31 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.495 1.043 . . . . 10.0 113.555 178.066 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -79.79 -8.82 59.49 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.948 1.299 . . . . 10.0 114.092 172.615 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.72 -26.26 4.52 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 114.468 1.284 . . . . 10.0 114.468 -177.205 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.4 p -151.34 142.19 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 127.284 2.234 . . . . 10.0 109.389 -179.257 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.9 t -80.31 136.51 36.43 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 115.13 1.53 . . . . 10.0 115.13 -169.022 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.95 -24.62 3.8 Favored 'General case' 0 CA--C 1.551 0.998 0 O-C-N 120.758 -1.214 . . . . 10.0 112.193 165.679 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -80.44 -10.74 59.74 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 115.198 1.555 . . . . 10.0 115.198 177.768 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -113.62 -3.48 13.6 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.623 1.169 . . . . 10.0 111.67 173.387 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 75.7 mt -95.79 128.15 47.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 C-N-CA 127.01 2.124 . . . . 10.0 109.675 175.942 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.4 t -72.78 -49.98 36.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 124.294 1.038 . . . . 10.0 109.569 168.365 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -164.09 176.48 9.25 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 123.347 0.659 . . . . 10.0 112.417 176.411 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 15.5 pt -137.28 134.13 47.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 125.458 1.503 . . . . 10.0 111.003 171.915 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -103.32 122.77 45.5 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 107.491 -1.3 . . . . 10.0 107.491 168.215 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 85.0 mt -131.21 121.21 48.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 N-CA-C 109.02 -0.733 . . . . 10.0 109.02 174.573 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 85.4 m -119.73 117.83 29.27 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 125.645 1.578 . . . . 10.0 108.298 178.052 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.8 t -115.57 126.13 73.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 N-CA-C 107.52 -1.289 . . . . 10.0 107.52 172.256 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 73.9 mt -117.79 139.08 51.58 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 124.273 1.029 . . . . 10.0 108.947 178.415 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 38.6 t -139.61 136.21 39.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 C-N-CA 124.587 1.155 . . . . 10.0 108.91 -177.308 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -147.03 159.78 43.17 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.647 1.179 . . . . 10.0 110.426 -179.041 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -134.51 103.92 5.88 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.313 0.645 . . . . 10.0 110.054 169.706 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.0 m -131.27 81.02 1.96 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.243 1.417 . . . . 10.0 108.046 -179.047 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.6 t70 64.92 -43.9 0.33 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 127.784 2.434 . . . . 10.0 113.168 -168.143 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -100.4 159.7 14.93 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.567 1.947 . . . . 10.0 110.997 167.585 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.5 tp -85.23 123.86 31.21 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 107.045 -1.465 . . . . 10.0 107.045 168.236 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -123.13 136.85 54.96 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 123.091 0.556 . . . . 10.0 110.094 -179.037 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 97.6 t -135.99 146.48 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 C-N-CA 125.106 1.362 . . . . 10.0 108.743 177.011 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -137.11 144.43 43.05 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 125.517 1.527 . . . . 10.0 109.008 169.555 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 42.5 mt -132.05 128.1 58.86 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.13 0 C-N-CA 124.5 1.12 . . . . 10.0 107.985 -178.522 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.4 m -131.94 131.77 42.94 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 123.676 0.79 . . . . 10.0 109.567 168.145 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.15 143.86 50.94 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.699 0.8 . . . . 10.0 109.444 172.316 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -136.27 143.76 44.42 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.975 1.31 . . . . 10.0 109.32 173.317 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 59.1 tp -127.99 107.85 10.18 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.61 1.564 . . . . 10.0 111.518 -166.599 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -96.14 107.61 19.96 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.497 -0.557 . . . . 10.0 109.497 -178.015 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -82.17 152.11 26.62 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.138 1.375 . . . . 10.0 111.643 172.769 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.91 147.06 24.68 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.931 167.415 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -64.98 -4.07 4.19 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.912 1.449 . . . . 10.0 114.912 -177.483 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 76.8 mt -113.31 8.78 18.14 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 125.816 1.646 . . . . 10.0 112.797 173.854 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.1 m -130.13 146.39 51.77 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.971 1.308 . . . . 10.0 112.593 -171.418 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -147.26 94.47 2.4 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 123.016 1.389 . . . . 10.0 112.329 -169.284 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.97 -177.2 3.77 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.343 1.457 . . . . 10.0 112.606 168.943 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.26 146.18 44.42 Favored Pre-proline 0 CA--C 1.547 0.844 0 O-C-N 120.632 -1.293 . . . . 10.0 112.421 -169.252 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -73.17 54.63 2.77 Favored 'Trans proline' 0 CA--C 1.545 1.056 1 C-N-CA 125.805 4.337 . . . . 10.0 112.757 178.823 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.05 -12.69 0.03 OUTLIER Glycine 0 CA--C 1.535 1.323 0 C-N-CA 125.531 1.539 . . . . 10.0 114.87 -177.846 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.0 tt -57.46 -24.42 21.8 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 N-CA-C 115.114 1.524 . . . . 10.0 115.114 -173.841 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 65.1 t -76.25 -50.44 22.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 125.539 1.536 . . . . 10.0 111.144 172.787 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -56.9 -36.08 69.74 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.509 1.124 . . . . 10.0 111.313 173.892 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -63.58 -41.51 98.36 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 122.926 0.491 . . . . 10.0 110.465 172.004 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.47 -41.46 72.73 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 119.038 0.835 . . . . 10.0 112.218 179.394 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 43.2 t -67.44 -50.88 57.84 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 125.161 1.385 . . . . 10.0 110.458 -179.028 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -58.92 -38.28 78.58 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.631 1.105 . . . . 10.0 111.834 171.056 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.01 -37.36 86.89 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 120.267 1.394 . . . . 10.0 112.411 175.311 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.1 -39.33 93.01 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.596 -0.69 . . . . 10.0 111.727 169.163 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -63.95 -43.04 97.04 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 117.788 -1.101 . . . . 10.0 113.312 173.112 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.1 mmt180 -66.51 -33.05 74.81 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 120.743 1.611 . . . . 10.0 112.236 174.246 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 25.1 m -65.72 -42.75 90.7 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.232 0.613 . . . . 10.0 111.055 172.258 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 23.2 tp -67.21 -45.27 77.36 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.152 0.981 . . . . 10.0 112.85 174.209 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -58.9 -31.46 68.64 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.321 1.848 . . . . 10.0 110.899 176.325 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.7 m -76.87 -45.52 27.97 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.4 1.08 . . . . 10.0 111.886 169.236 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -58.7 -40.92 85.03 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.012 1.325 . . . . 10.0 113.744 -173.525 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 CA--C 1.539 0.539 0 N-CA-C 114.561 1.319 . . . . 10.0 114.561 176.295 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 40.2 mt . . . . . 0 CA--C 1.533 0.292 0 CA-C-O 121.635 0.731 . . . . 10.0 110.024 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.0 t -145.34 -170.58 3.47 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 126.133 1.773 . . . . 10.0 109.841 -175.421 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -63.79 33.18 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 129.878 3.271 . . . . 10.0 114.705 -178.126 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -145.17 -55.72 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 C-N-CA 126.676 2.084 . . . . 10.0 110.347 169.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.93 -43.36 99.0 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 117.896 0.848 . . . . 10.0 111.734 174.194 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.5 mt -69.25 -35.41 76.09 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.313 0.645 . . . . 10.0 111.921 176.717 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -64.74 -46.16 83.41 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 122.946 0.498 . . . . 10.0 110.521 174.94 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -63.24 -37.97 89.32 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.49 0.716 . . . . 10.0 112.312 174.241 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.6 mt -64.38 -41.5 92.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 O-C-N 120.932 -1.105 . . . . 10.0 110.128 173.921 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.2 p -58.93 -41.87 88.36 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.873 0.76 . . . . 10.0 112.025 171.098 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -44.02 97.57 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.819 1.247 . . . . 10.0 111.396 175.862 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -64.52 -42.55 95.7 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.08 0.952 . . . . 10.0 112.009 177.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.2 mt -67.28 -47.92 69.22 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.929 -0.482 . . . . 10.0 111.077 176.798 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.9 t-160 -59.92 -43.73 94.73 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.491 0.716 . . . . 10.0 111.63 177.436 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -60.78 -45.56 93.89 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 118.732 -0.651 . . . . 10.0 111.932 171.602 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.9 m -61.1 -46.77 89.25 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 118.736 0.698 . . . . 10.0 111.231 -175.106 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 52.5 mt -65.01 -44.18 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-N 117.862 0.301 . . . . 10.0 110.407 175.445 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 m -60.67 -50.54 73.1 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.41 0.684 . . . . 10.0 112.338 -178.936 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -61.01 -38.56 86.48 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-O 117.062 -1.447 . . . . 10.0 114.404 168.557 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -60.94 -45.8 93.25 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 121.629 2.013 . . . . 10.0 110.465 176.771 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 63.1 mt -61.74 -51.64 70.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-O 117.87 -1.062 . . . . 10.0 109.965 176.392 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.4 mp -63.94 -18.48 64.29 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 120.558 1.527 . . . . 10.0 114.078 178.514 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -95.57 4.6 53.0 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.333 1.453 . . . . 10.0 112.127 172.714 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -124.22 -30.87 3.39 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.554 1.542 . . . . 10.0 114.5 174.324 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.2 t -145.67 137.91 20.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 126.943 2.097 . . . . 10.0 108.308 -171.121 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 40.5 t -79.22 136.46 37.08 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 122.389 1.09 . . . . 10.0 113.782 -171.749 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.92 -24.66 3.79 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.214 1.006 . . . . 10.0 112.968 167.442 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -87.63 -3.88 58.96 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 115.348 1.61 . . . . 10.0 115.348 178.428 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -117.43 -12.18 10.45 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.734 1.214 . . . . 10.0 112.095 169.837 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.5 mt -78.34 128.05 38.46 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 C-N-CA 125.765 1.626 . . . . 10.0 109.552 169.646 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 38.4 t -74.94 -51.04 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 C-N-CA 124.897 1.279 . . . . 10.0 108.46 167.756 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -163.33 176.52 9.79 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.652 0.781 . . . . 10.0 113.061 170.129 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.0 pt -131.71 142.31 43.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 125.624 1.57 . . . . 10.0 110.003 169.845 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -122.61 112.14 17.63 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 107.969 -1.123 . . . . 10.0 107.969 179.824 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 73.3 mt -129.33 119.12 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 C-N-CA 123.891 0.876 . . . . 10.0 108.758 -175.851 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.6 m -119.65 117.59 28.7 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 125.261 1.424 . . . . 10.0 107.809 177.562 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.1 m -115.84 118.84 60.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 C-N-CA 126.317 1.847 . . . . 10.0 108.856 178.672 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 mp -117.77 139.02 51.65 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.549 1.14 . . . . 10.0 109.344 -179.914 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.3 p -139.73 139.53 37.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 C-N-CA 123.23 0.612 . . . . 10.0 109.558 174.314 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -145.55 159.98 42.32 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.664 1.186 . . . . 10.0 111.088 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -140.76 99.76 3.69 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 107.097 -1.446 . . . . 10.0 107.097 170.432 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.2 m -126.61 80.47 1.94 Allowed 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 105.765 -1.939 . . . . 10.0 105.765 -171.774 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.0 t70 61.46 -36.53 0.11 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 127.453 2.301 . . . . 10.0 113.505 -165.849 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -114.92 147.08 40.45 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 127.869 2.468 . . . . 10.0 109.599 169.493 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 36.4 tp -85.29 129.11 34.88 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.261 1.425 . . . . 10.0 109.759 177.26 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.417 ' HE2' ' HB2' ' A' ' 53' ' ' ASP . 82.0 tttt -133.96 144.08 48.56 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.609 0.719 . . . . 10.0 111.002 171.342 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.9 p -131.07 140.69 47.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 C-N-CA 126.061 1.745 . . . . 10.0 107.23 168.433 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.417 ' HB2' ' HE2' ' A' ' 51' ' ' LYS . 5.8 t0 -140.31 140.35 35.63 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 125.041 1.336 . . . . 10.0 110.071 -175.126 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 16.5 mt -132.46 129.19 58.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.285 -0.87 . . . . 10.0 108.698 -170.083 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 59.5 m -131.58 122.73 26.56 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 123.925 0.89 . . . . 10.0 108.754 169.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.12 138.33 49.45 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.788 0.835 . . . . 10.0 110.166 177.79 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -140.12 145.9 38.17 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.043 1.337 . . . . 10.0 109.303 -177.236 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.5 tp -127.85 126.43 41.61 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 125.06 1.344 . . . . 10.0 109.983 -168.323 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -113.14 102.92 10.84 Favored 'General case' 0 C--N 1.337 0.032 0 C-N-CA 123.585 0.754 . . . . 10.0 109.015 176.802 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 30.6 mt -82.85 151.88 25.84 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.111 1.364 . . . . 10.0 111.901 169.158 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -63.11 142.94 58.19 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 108.22 -1.03 . . . . 10.0 108.22 164.925 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -64.77 -6.14 7.39 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.152 1.167 . . . . 10.0 114.152 -174.242 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.6 mt -93.28 3.33 55.82 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.973 1.309 . . . . 10.0 114.11 171.903 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.99 147.67 48.82 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.776 1.171 . . . . 10.0 112.631 175.544 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -144.82 94.4 2.54 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.66 1.584 . . . . 10.0 110.232 -173.587 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.61 -178.43 6.73 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.895 1.278 . . . . 10.0 112.727 171.527 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -85.42 146.08 43.79 Favored Pre-proline 0 CA--C 1.547 0.848 0 O-C-N 121.199 -0.938 . . . . 10.0 113.083 -168.374 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -73.54 55.96 3.26 Favored 'Trans proline' 0 CA--C 1.545 1.035 1 C-N-CA 126.21 4.607 . . . . 10.0 113.43 -173.728 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 176.6 -3.65 0.03 OUTLIER Glycine 0 CA--C 1.539 1.544 0 C-N-CA 126.895 2.188 . . . . 10.0 114.395 178.154 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.7 tt -66.72 -23.14 30.71 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 CA-C-N 119.24 1.52 . . . . 10.0 114.119 -169.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.6 t -79.39 -48.71 20.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 124.263 1.025 . . . . 10.0 109.408 171.409 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.9 -40.73 70.1 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.387 1.875 . . . . 10.0 111.772 179.508 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -63.98 -33.16 75.1 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 118.593 -0.718 . . . . 10.0 112.427 171.668 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.51 -42.74 86.87 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 119.781 1.173 . . . . 10.0 110.827 175.075 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.4 t -66.18 -47.77 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 C-N-CA 122.976 0.51 . . . . 10.0 110.364 178.408 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -58.9 -41.48 87.29 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.658 0.783 . . . . 10.0 112.0 172.693 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.81 -39.39 94.12 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.163 -0.961 . . . . 10.0 111.377 175.556 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.15 -41.85 99.35 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 118.908 0.777 . . . . 10.0 112.333 170.243 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -63.66 -43.2 97.45 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 119.21 0.914 . . . . 10.0 112.792 175.736 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -64.76 -41.68 95.71 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.727 1.149 . . . . 10.0 110.656 173.888 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 38.7 m -64.91 -31.51 72.77 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-O 117.95 -1.024 . . . . 10.0 112.41 -179.769 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -63.17 -47.19 83.67 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 119.878 1.217 . . . . 10.0 111.469 176.36 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.99 -41.24 87.09 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 118.783 -0.627 . . . . 10.0 111.538 178.093 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . 0.361 58.6 m -77.61 -17.74 57.5 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 115.106 1.521 . . . . 10.0 115.106 176.649 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -65.76 -36.43 83.54 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.055 -1.028 . . . . 10.0 109.242 164.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.5 mt . . . . . 0 N--CA 1.469 0.477 0 CA-C-O 118.036 -0.983 . . . . 10.0 112.202 171.952 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 CA--C 1.53 0.205 0 CA-C-O 121.313 0.578 . . . . 10.0 110.532 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.5 t -141.68 -169.41 2.89 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.102 1.361 . . . . 10.0 110.188 177.125 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -48.47 -36.37 14.9 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.55 1.54 . . . . 10.0 113.159 -177.093 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.44 -48.84 60.51 Favored Glycine 0 CA--C 1.533 1.182 0 CA-C-O 119.372 -0.682 . . . . 10.0 113.661 176.95 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.98 -42.75 89.44 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.696 1.248 . . . . 10.0 110.907 177.052 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.4 mp -65.08 -37.9 89.02 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 118.448 -0.787 . . . . 10.0 112.624 176.772 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -66.73 -45.8 77.51 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 119.338 0.972 . . . . 10.0 111.625 169.413 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -59.57 -44.3 93.33 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 119.6 1.091 . . . . 10.0 111.408 178.87 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.0 mt -65.12 -46.53 90.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 C-N-CA 123.416 0.686 . . . . 10.0 110.466 175.181 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.3 m -64.64 -38.39 90.83 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.382 -0.824 . . . . 10.0 111.406 -178.28 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.0 t -67.58 -43.45 80.52 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.439 1.495 . . . . 10.0 112.019 172.7 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -56.83 -42.51 79.77 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 119.158 0.89 . . . . 10.0 111.459 172.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.3 mt -69.37 -47.22 64.92 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 118.395 -0.812 . . . . 10.0 111.915 176.911 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -56.45 -49.92 73.2 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.669 1.122 . . . . 10.0 111.732 174.32 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -63.03 -34.93 78.62 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 118.961 -0.542 . . . . 10.0 111.41 178.94 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.8 m -61.1 -46.08 92.07 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 118.961 0.8 . . . . 10.0 111.368 174.771 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 52.5 mt -66.03 -48.29 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-N 118.532 0.606 . . . . 10.0 110.689 175.934 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.5 m -60.71 -45.3 94.75 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.188 0.595 . . . . 10.0 111.83 -178.408 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.04 -38.85 90.28 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 114.088 1.144 . . . . 10.0 114.088 169.029 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -62.88 -45.81 90.81 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 120.345 1.43 . . . . 10.0 110.268 176.176 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.1 mt -60.11 -53.04 54.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-O 118.04 -0.981 . . . . 10.0 109.62 177.844 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.4 mp -62.74 -13.75 36.38 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 114.264 1.209 . . . . 10.0 114.264 179.308 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -107.5 4.68 26.38 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.218 1.407 . . . . 10.0 112.157 175.576 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.8 tpt85 -125.05 -29.39 3.33 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.043 1.737 . . . . 10.0 113.305 -179.917 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.7 t -143.16 144.09 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 128.298 2.639 . . . . 10.0 108.655 170.341 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.7 t -73.06 136.46 44.97 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 120.623 -1.298 . . . . 10.0 112.298 177.307 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.89 -24.81 3.87 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.631 1.572 . . . . 10.0 113.323 168.631 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -63.26 -43.13 98.85 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.906 1.23 . . . . 10.0 111.224 169.812 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -73.13 -12.78 61.02 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.222 1.409 . . . . 10.0 112.232 -176.365 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 86.1 mt -105.71 128.11 60.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 C-N-CA 128.119 2.568 . . . . 10.0 109.272 -175.055 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.1 t -73.32 -50.33 31.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 123.542 0.737 . . . . 10.0 109.542 169.294 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -162.11 174.66 12.66 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.399 0.679 . . . . 10.0 112.688 172.058 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.0 pt -133.67 143.04 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 125.273 1.429 . . . . 10.0 110.563 172.554 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -123.38 117.58 25.52 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 108.432 -0.951 . . . . 10.0 108.432 177.689 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.9 mt -131.14 121.75 49.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 108.538 -0.912 . . . . 10.0 108.538 -174.284 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.2 m -119.84 126.87 52.03 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 124.88 1.272 . . . . 10.0 109.1 176.459 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 67.9 t -115.53 130.12 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.122 0 N-CA-C 107.042 -1.466 . . . . 10.0 107.042 169.32 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 72.2 mt -117.68 139.27 51.25 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 124.923 1.289 . . . . 10.0 108.398 172.898 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.8 p -139.1 131.07 36.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 108.421 -0.955 . . . . 10.0 108.421 178.155 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -139.19 155.48 47.79 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.926 1.29 . . . . 10.0 110.415 -169.778 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -142.35 102.34 4.07 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 108.784 -0.821 . . . . 10.0 108.784 175.791 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.413 ' C ' ' H ' ' A' ' 49' ' ' GLU . 81.2 m -131.7 89.4 2.69 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 120.93 -1.106 . . . . 10.0 109.435 173.914 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.7 t70 63.7 -28.94 0.09 Allowed 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 127.093 2.157 . . . . 10.0 114.205 -168.942 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.413 ' H ' ' C ' ' A' ' 47' ' ' THR . 38.2 tt0 -129.72 154.65 46.97 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 127.249 2.22 . . . . 10.0 110.149 171.168 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 53.1 tp -85.37 129.21 34.86 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.308 1.843 . . . . 10.0 110.048 177.799 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 56.1 tttm -131.77 142.2 49.69 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.809 1.243 . . . . 10.0 110.406 -178.295 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 86.9 t -136.15 141.24 42.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 125.424 1.49 . . . . 10.0 108.482 176.773 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -137.39 137.45 38.85 Favored 'General case' 0 C--O 1.233 0.237 0 C-N-CA 125.35 1.46 . . . . 10.0 107.871 179.631 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.6 mt -132.1 131.61 61.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 N-CA-C 109.21 -0.663 . . . . 10.0 109.21 179.062 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 65.5 m -131.81 133.16 44.39 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 124.377 1.071 . . . . 10.0 110.303 169.169 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.22 147.54 52.61 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.42 1.088 . . . . 10.0 110.824 177.657 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.93 147.48 48.12 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 125.828 1.651 . . . . 10.0 111.239 -176.64 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -127.84 104.38 7.79 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 125.849 1.66 . . . . 10.0 109.004 -169.865 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -103.57 102.85 12.74 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.095 -1.076 . . . . 10.0 108.095 175.671 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 39.3 mt -88.64 152.1 22.04 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.898 2.079 . . . . 10.0 111.775 -175.267 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -59.46 147.09 37.86 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 121.061 0.458 . . . . 10.0 111.07 169.436 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -67.75 7.6 0.48 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 126.388 1.875 . . . . 10.0 113.323 -177.499 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 93.0 mt -129.37 3.39 5.13 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 127.749 2.42 . . . . 10.0 111.964 178.533 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.6 m -88.83 162.9 15.92 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.943 1.297 . . . . 10.0 111.635 175.339 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -158.01 110.7 2.38 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.298 1.439 . . . . 10.0 107.662 -177.479 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -131.95 -178.47 4.9 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 126.503 1.921 . . . . 10.0 112.631 -172.219 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -85.51 143.71 39.12 Favored Pre-proline 0 CA--C 1.546 0.825 0 O-C-N 120.904 -1.122 . . . . 10.0 112.572 -168.724 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -74.48 46.21 1.38 Allowed 'Trans proline' 0 CA--C 1.547 1.17 1 C-N-CA 125.865 4.377 . . . . 10.0 113.696 -176.257 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.09 13.61 0.02 OUTLIER Glycine 0 CA--C 1.539 1.588 0 C-N-CA 127.067 2.27 . . . . 10.0 114.291 177.007 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.0 tt -63.83 -25.42 38.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-N 118.67 1.235 . . . . 10.0 114.064 -169.252 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.3 p -86.07 -38.4 12.65 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.184 0 C-N-CA 124.56 1.144 . . . . 10.0 112.259 175.022 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -54.45 -36.5 64.14 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.753 1.221 . . . . 10.0 111.002 174.752 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -63.72 -40.78 97.61 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.584 0.754 . . . . 10.0 111.75 171.793 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.2 -43.18 78.62 Favored 'General case' 0 C--N 1.345 0.375 0 CA-C-N 118.65 0.659 . . . . 10.0 111.672 177.515 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.8 t -67.91 -45.26 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 O-C-N 122.043 -0.411 . . . . 10.0 110.508 -179.839 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -58.9 -37.33 76.37 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.114 0.966 . . . . 10.0 112.147 170.85 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.445 ' N ' HH21 ' A' ' 80' ' ' ARG . . . -62.94 -40.57 98.05 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 120.105 -1.622 . . . . 10.0 111.772 172.64 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.09 -43.12 88.2 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 118.524 -0.751 . . . . 10.0 112.67 171.364 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -62.35 -43.03 99.77 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 120.189 1.359 . . . . 10.0 112.541 177.298 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.445 HH21 ' N ' ' A' ' 77' ' ' ALA . 87.5 mtm180 -67.87 -32.17 72.49 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.429 0.692 . . . . 10.0 111.906 174.103 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 40.0 m -70.03 -34.9 73.87 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.318 0.647 . . . . 10.0 112.081 172.589 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -66.34 -46.57 76.35 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.27 1.028 . . . . 10.0 111.012 173.049 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -58.84 -41.27 86.53 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 122.088 -0.382 . . . . 10.0 111.443 173.048 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.2 m -65.55 -36.25 83.25 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.174 0.989 . . . . 10.0 112.304 175.334 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -65.65 -42.2 91.69 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.269 -0.894 . . . . 10.0 111.614 176.545 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.5 mm? . . . . . 0 N--CA 1.47 0.527 0 CA-C-N 119.109 0.868 . . . . 10.0 112.486 175.048 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.9 mt . . . . . 0 CA--C 1.529 0.145 0 CA-C-O 121.575 0.702 . . . . 10.0 110.959 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.9 t -140.15 -168.19 2.48 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.214 1.406 . . . . 10.0 110.172 179.521 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -47.35 -37.5 11.23 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.874 1.67 . . . . 10.0 113.411 -175.791 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.33 -50.71 36.73 Favored Glycine 0 CA--C 1.533 1.177 0 CA-C-N 118.93 0.786 . . . . 10.0 113.6 178.237 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.87 -43.54 98.53 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 118.294 1.047 . . . . 10.0 110.244 178.602 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.3 mp -65.68 -42.56 91.12 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.58 1.152 . . . . 10.0 112.437 177.733 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -61.59 -46.23 90.75 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.398 0.999 . . . . 10.0 111.173 171.55 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -61.77 -44.16 97.44 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 118.77 0.714 . . . . 10.0 111.788 -179.289 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 84.7 mt -65.01 -42.87 95.82 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 122.945 0.498 . . . . 10.0 110.597 174.5 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.0 p -58.93 -38.08 78.14 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 118.974 0.806 . . . . 10.0 112.713 173.744 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.4 t -70.92 -42.15 70.26 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 124.804 1.242 . . . . 10.0 111.175 177.576 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -58.8 -42.63 89.55 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.881 0.764 . . . . 10.0 111.475 172.763 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.8 mt -66.9 -50.19 63.22 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 118.776 -0.63 . . . . 10.0 111.781 176.543 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -57.72 -49.87 75.11 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 119.226 0.921 . . . . 10.0 111.673 177.403 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -61.48 -37.53 83.96 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 118.615 -0.707 . . . . 10.0 111.115 178.528 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.2 m -61.11 -45.82 93.12 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 118.986 0.812 . . . . 10.0 111.832 175.721 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 59.5 mt -64.53 -47.55 88.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 118.878 0.763 . . . . 10.0 110.528 175.556 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.7 m -62.34 -42.77 99.66 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 118.436 0.562 . . . . 10.0 112.315 -178.909 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -65.49 -38.59 90.19 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.483 0.713 . . . . 10.0 111.913 172.085 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -61.32 -45.54 94.01 Favored 'General case' 0 C--N 1.345 0.371 0 CA-C-N 119.046 0.839 . . . . 10.0 111.061 173.232 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 63.6 mt -59.9 -47.69 90.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 118.902 0.774 . . . . 10.0 109.69 177.157 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.79 -26.99 67.67 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.749 1.018 . . . . 10.0 113.749 174.27 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.7 7.25 42.56 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.929 1.085 . . . . 10.0 113.929 171.533 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.82 -38.49 2.73 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.692 1.197 . . . . 10.0 114.151 178.758 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.9 t -148.18 153.27 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 125.682 1.593 . . . . 10.0 109.693 -177.065 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.5 t -84.67 136.49 33.72 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 115.151 1.537 . . . . 10.0 115.151 -169.287 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.02 -24.58 3.88 Favored 'General case' 0 CA--C 1.55 0.944 0 O-C-N 120.921 -1.112 . . . . 10.0 112.929 166.571 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -71.07 -10.22 59.38 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.839 1.422 . . . . 10.0 114.839 174.761 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -129.69 -21.52 3.08 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.532 1.533 . . . . 10.0 112.94 178.436 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.6 mm -70.86 110.74 4.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 N-CA-C 106.745 -1.576 . . . . 10.0 106.745 168.441 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.4 t -68.88 -47.41 76.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 C-N-CA 124.479 1.112 . . . . 10.0 109.718 175.434 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -162.58 177.02 9.8 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.062 0.945 . . . . 10.0 111.558 174.16 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.2 pt -141.07 138.01 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 125.131 1.372 . . . . 10.0 111.475 173.189 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -105.37 123.94 48.72 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 107.375 -1.342 . . . . 10.0 107.375 167.35 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 72.3 mt -131.11 122.6 51.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 N-CA-C 108.142 -1.058 . . . . 10.0 108.142 173.399 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 90.1 m -119.85 126.59 51.35 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 124.698 1.199 . . . . 10.0 109.174 175.752 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 66.8 t -115.45 129.29 71.98 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.097 0 N-CA-C 106.734 -1.58 . . . . 10.0 106.734 169.202 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 74.6 mt -117.68 139.29 51.22 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 125.092 1.357 . . . . 10.0 108.15 174.75 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.6 p -135.33 131.95 52.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 107.41 -1.329 . . . . 10.0 107.41 174.832 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -143.11 156.63 44.84 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.477 1.111 . . . . 10.0 110.488 -167.0 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -137.51 112.4 8.98 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 109.521 -0.548 . . . . 10.0 109.521 -178.065 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 99.4 m -131.84 85.83 2.28 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.153 -0.967 . . . . 10.0 109.481 171.309 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.4 t70 64.63 -35.08 0.17 Allowed 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 127.293 2.237 . . . . 10.0 113.82 -168.593 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -120.78 157.48 29.62 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 127.987 2.515 . . . . 10.0 110.566 170.877 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -85.32 129.13 34.87 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 126.438 1.895 . . . . 10.0 109.506 178.785 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 tmmt? -131.34 150.22 52.24 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.304 1.042 . . . . 10.0 110.647 177.608 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.5 t -132.27 145.05 35.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 125.383 1.473 . . . . 10.0 108.542 177.735 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.48 138.55 49.03 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.936 1.694 . . . . 10.0 107.638 175.382 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 24.9 mt -132.06 130.68 61.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 N-CA-C 109.025 -0.732 . . . . 10.0 109.025 178.271 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.8 m -131.97 138.24 48.22 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 123.772 0.829 . . . . 10.0 110.703 168.505 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.23 151.19 51.72 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.201 1.0 . . . . 10.0 109.975 172.111 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -141.66 146.05 35.68 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.798 1.239 . . . . 10.0 110.433 173.654 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -120.01 105.76 11.35 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 126.677 1.991 . . . . 10.0 110.324 -167.66 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -92.04 102.92 15.48 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 108.436 -0.95 . . . . 10.0 108.436 174.389 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.8 mt -92.64 151.81 19.9 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 124.813 1.245 . . . . 10.0 111.038 172.052 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -58.95 147.02 35.84 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 121.241 0.543 . . . . 10.0 111.306 169.025 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -69.28 9.85 0.39 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.258 1.423 . . . . 10.0 114.506 -174.745 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.1 mt -124.47 1.3 8.31 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.673 1.989 . . . . 10.0 112.808 179.938 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.4 164.8 12.31 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.298 0.954 . . . . 10.0 112.309 172.258 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -155.44 107.44 2.64 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.156 1.782 . . . . 10.0 107.265 -171.688 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -130.03 -177.36 4.27 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.534 1.934 . . . . 10.0 111.621 -174.673 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -85.23 135.13 39.5 Favored Pre-proline 0 CA--C 1.548 0.89 0 O-C-N 120.719 -1.238 . . . . 10.0 112.394 -166.714 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -74.99 62.4 5.85 Favored 'Trans proline' 0 C--N 1.356 0.943 1 C-N-CA 125.8 4.334 . . . . 10.0 112.786 -169.889 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.1 -8.73 0.03 OUTLIER Glycine 0 CA--C 1.533 1.179 0 C-N-CA 125.013 1.292 . . . . 10.0 115.211 -177.242 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 31.6 mt -53.84 -31.19 20.18 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 CA-C-N 120.051 1.925 . . . . 10.0 113.999 -178.84 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.6 t -60.76 -60.59 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 123.786 0.835 . . . . 10.0 110.029 171.173 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -57.12 -37.36 71.87 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 125.318 1.447 . . . . 10.0 111.311 179.066 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.64 -37.43 87.33 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 118.741 -0.647 . . . . 10.0 110.837 174.392 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.77 -41.75 82.77 Favored 'General case' 0 C--N 1.343 0.322 0 CA-C-N 119.263 0.938 . . . . 10.0 111.151 -179.875 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.9 t -72.91 -43.05 60.27 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 122.598 0.359 . . . . 10.0 111.139 179.695 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -58.82 -39.2 80.49 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.28 1.832 . . . . 10.0 112.304 171.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.59 -44.69 93.32 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.357 -0.839 . . . . 10.0 111.553 170.509 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.71 -43.49 94.1 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.913 0.778 . . . . 10.0 112.217 173.24 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -62.39 -43.23 99.31 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.847 0.749 . . . . 10.0 112.341 177.226 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 23.1 mtt85 -71.44 -27.07 63.02 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.325 0.966 . . . . 10.0 113.077 173.7 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.7 p -63.19 -42.23 99.31 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 118.811 0.732 . . . . 10.0 110.897 169.486 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.2 tp -67.97 -44.13 77.42 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.075 0.95 . . . . 10.0 111.187 178.668 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -58.8 -41.23 86.28 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.302 1.041 . . . . 10.0 111.343 173.572 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.1 m -72.39 -28.89 63.29 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.025 0.93 . . . . 10.0 112.84 176.204 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -79.16 -42.43 26.16 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.931 0.892 . . . . 10.0 111.618 -177.461 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.2 mm? . . . . . 0 N--CA 1.471 0.618 0 CA-C-N 119.719 1.145 . . . . 10.0 113.307 178.635 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.2 mt . . . . . 0 CA--C 1.534 0.336 0 CA-C-O 121.193 0.52 . . . . 10.0 110.207 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.405 ' C ' ' H ' ' A' ' 9' ' ' GLY . 6.3 t -149.75 -169.08 3.28 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 126.093 1.757 . . . . 10.0 108.734 -174.894 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.53 21.78 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 129.929 3.292 . . . . 10.0 114.604 -169.299 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.405 ' H ' ' C ' ' A' ' 7' ' ' THR . . . -136.07 -56.21 0.06 OUTLIER Glycine 0 CA--C 1.528 0.875 0 C-N-CA 127.289 2.376 . . . . 10.0 110.331 173.808 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -61.74 -41.19 97.34 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.172 0.986 . . . . 10.0 112.727 175.172 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.8 mt -68.57 -36.3 78.56 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.687 -0.633 . . . . 10.0 111.741 176.722 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -67.7 -42.27 82.26 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.24 0.616 . . . . 10.0 111.328 173.661 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -58.74 -44.06 90.4 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.921 0.888 . . . . 10.0 111.408 173.496 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 79.1 mt -67.14 -45.14 87.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-O 118.62 -0.705 . . . . 10.0 111.643 176.187 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.3 m -59.32 -38.17 79.6 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 120.1 1.318 . . . . 10.0 111.731 172.37 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.7 t -66.06 -43.83 86.31 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.178 -0.952 . . . . 10.0 112.025 174.922 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -61.06 -41.12 96.0 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.179 0.992 . . . . 10.0 111.79 174.745 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.5 mt -63.85 -48.72 75.64 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.859 0.864 . . . . 10.0 111.737 174.104 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -58.51 -48.87 79.41 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 118.42 0.554 . . . . 10.0 111.405 176.002 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.15 -37.48 85.38 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-O 118.539 -0.743 . . . . 10.0 111.482 176.65 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.7 m -60.99 -47.17 87.7 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.156 0.889 . . . . 10.0 110.771 178.786 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 65.8 mt -65.66 -43.38 93.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-N 118.382 0.537 . . . . 10.0 110.722 176.206 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.4 t -58.39 -50.92 71.96 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 122.916 0.486 . . . . 10.0 111.956 176.928 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.16 -39.0 77.7 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 112.941 0.719 . . . . 10.0 112.941 171.706 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.439 ' CE1' ' HD3' ' A' ' 29' ' ' ARG . 31.4 t80 -66.82 -45.77 77.25 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.657 0.662 . . . . 10.0 110.946 -179.522 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 87.5 mt -62.34 -47.51 92.71 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 C-N-CA 124.078 0.951 . . . . 10.0 110.361 176.502 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.09 -9.11 19.9 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.694 0.998 . . . . 10.0 113.694 176.713 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.8 mtmt -117.65 18.45 14.18 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.034 1.734 . . . . 10.0 112.087 170.859 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.439 ' HD3' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -120.6 -41.3 2.59 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 127.451 2.3 . . . . 10.0 113.215 168.893 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.4 t -144.25 152.1 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.599 1.56 . . . . 10.0 109.757 -174.08 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.1 t -80.74 136.51 36.17 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 115.336 1.606 . . . . 10.0 115.336 -169.928 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.62 -24.62 3.41 Favored 'General case' 0 CA--C 1.551 0.981 0 O-C-N 120.776 -1.202 . . . . 10.0 112.603 165.314 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -74.82 -11.32 60.12 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 115.043 1.498 . . . . 10.0 115.043 175.073 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -127.22 -22.28 3.76 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.547 1.139 . . . . 10.0 112.522 179.737 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.1 mm -70.88 116.79 13.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 N-CA-C 106.566 -1.642 . . . . 10.0 106.566 167.056 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.2 t -71.29 -49.25 49.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 C-N-CA 123.707 0.803 . . . . 10.0 109.61 170.244 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -163.64 176.12 9.95 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.776 0.831 . . . . 10.0 112.183 171.082 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.7 pt -134.78 142.97 38.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 124.861 1.264 . . . . 10.0 110.564 171.738 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -127.51 116.47 20.44 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 123.992 0.917 . . . . 10.0 108.665 179.39 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.2 mt -131.14 120.06 45.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 N-CA-C 108.671 -0.863 . . . . 10.0 108.671 -173.697 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 41.3 m -119.86 117.24 27.62 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 123.884 0.874 . . . . 10.0 108.728 171.303 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -116.18 117.94 57.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 C-N-CA 125.107 1.363 . . . . 10.0 111.459 172.599 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 mp -116.93 139.24 50.88 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 125.833 1.653 . . . . 10.0 109.775 -171.753 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.7 p -135.47 140.97 43.68 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 124.172 0.989 . . . . 10.0 110.187 -176.821 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -140.14 159.56 41.92 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 127.181 2.192 . . . . 10.0 110.7 -173.036 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -134.09 98.96 4.27 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 105.286 -2.116 . . . . 10.0 105.286 164.815 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 92.3 m -131.62 80.55 1.93 Allowed 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 106.208 -1.775 . . . . 10.0 106.208 -173.329 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.5 t70 60.95 -43.89 0.12 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 127.517 2.327 . . . . 10.0 112.965 -165.735 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.475 ' CD ' ' HZ1' ' A' ' 51' ' ' LYS . 35.2 mt-10 -98.31 154.01 18.12 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.823 2.049 . . . . 10.0 109.963 168.037 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.5 tp -85.27 122.34 29.31 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 105.201 -2.148 . . . . 10.0 105.201 165.561 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.475 ' HZ1' ' CD ' ' A' ' 49' ' ' GLU . 9.1 mttt -135.88 137.36 41.36 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.93 0.395 . . . . 10.0 111.15 -175.781 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.7 p -136.15 137.93 47.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 C-N-CA 125.131 1.372 . . . . 10.0 108.29 177.139 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -136.82 146.31 45.5 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 124.09 0.956 . . . . 10.0 110.905 178.049 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 17.1 mt -132.0 117.21 32.58 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 124.787 1.235 . . . . 10.0 109.843 -166.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.3 t -116.18 125.01 51.71 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 124.359 1.064 . . . . 10.0 108.972 174.592 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.22 141.83 50.08 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.39 1.076 . . . . 10.0 110.693 178.905 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.35 147.51 52.58 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 125.989 1.716 . . . . 10.0 111.137 -176.622 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -126.8 104.4 8.04 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 125.692 1.597 . . . . 10.0 108.746 -169.947 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -103.13 117.46 34.6 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.324 -0.991 . . . . 10.0 108.324 175.89 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 16.8 mt -122.47 151.81 40.93 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 127.231 2.212 . . . . 10.0 110.704 -168.336 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -66.77 146.91 53.94 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 112.66 0.615 . . . . 10.0 112.66 179.099 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.07 -10.79 43.64 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.317 1.447 . . . . 10.0 114.565 -177.869 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.9 mp -104.01 0.09 29.47 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 119.768 1.167 . . . . 10.0 112.444 170.835 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 61.7 p -76.84 169.73 17.78 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.93 0.892 . . . . 10.0 113.264 177.284 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -158.56 106.28 1.89 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.647 1.579 . . . . 10.0 107.993 179.231 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -131.36 173.9 10.61 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.18 1.792 . . . . 10.0 111.713 -177.681 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -85.32 139.73 36.31 Favored Pre-proline 0 CA--C 1.547 0.833 0 O-C-N 121.147 -0.971 . . . . 10.0 113.442 -166.15 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -75.17 48.75 2.12 Favored 'Trans proline' 0 CA--C 1.545 1.058 1 C-N-CA 126.265 4.643 . . . . 10.0 113.416 -172.138 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.05 3.89 0.02 OUTLIER Glycine 0 CA--C 1.537 1.421 0 C-N-CA 127.1 2.286 . . . . 10.0 114.436 -177.677 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.5 tt -63.08 -20.44 25.84 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 CA-C-N 119.792 1.796 . . . . 10.0 114.328 -174.599 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.8 p -86.0 -32.73 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 C-N-CA 124.665 1.186 . . . . 10.0 112.695 169.773 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.24 -36.09 76.96 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 119.095 0.861 . . . . 10.0 110.158 171.538 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -63.64 -40.75 97.66 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 119.059 -0.496 . . . . 10.0 110.54 171.246 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.1 -43.8 77.68 Favored 'General case' 0 C--N 1.343 0.324 0 CA-C-N 119.35 0.977 . . . . 10.0 112.416 -177.359 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.405 HG11 ' CE2' ' A' ' 79' ' ' TYR . 9.2 t -72.21 -40.73 66.18 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-O 118.873 -0.584 . . . . 10.0 110.517 -179.849 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -58.68 -42.81 89.39 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.64 1.176 . . . . 10.0 111.754 170.114 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.23 -40.08 96.44 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 118.745 -0.645 . . . . 10.0 111.968 173.912 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.8 -44.8 95.2 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.26 0.936 . . . . 10.0 112.315 172.637 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.405 ' CE2' HG11 ' A' ' 75' ' ' VAL . 47.6 m-85 -61.65 -43.14 99.42 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 118.953 0.797 . . . . 10.0 112.242 176.103 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 75.8 mtt-85 -72.18 -36.02 69.13 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.693 -0.63 . . . . 10.0 112.348 177.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 42.2 t -63.01 -43.5 98.57 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 123.831 0.852 . . . . 10.0 109.958 173.383 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 46.3 tp -66.15 -47.61 73.46 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-O 118.478 -0.772 . . . . 10.0 112.594 -178.911 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -73.3 -28.15 61.93 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 119.431 1.014 . . . . 10.0 110.765 -178.698 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.2 m -63.98 -50.21 69.44 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.222 0.464 . . . . 10.0 110.644 169.25 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -60.68 -36.45 78.78 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.206 1.003 . . . . 10.0 112.505 177.858 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 CA--C 1.542 0.66 0 CA-C-O 117.52 -1.229 . . . . 10.0 113.796 173.219 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ptt? . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 119.21 -0.424 . . . . 10.0 110.938 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -151.43 37.58 0.6 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.61 1.164 . . . . 10.0 111.828 -170.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -114.38 -153.78 0.53 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.596 1.558 . . . . 10.0 111.885 -173.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -120.18 169.94 9.78 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 126.819 2.048 . . . . 10.0 111.146 -175.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -67.39 113.91 5.65 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 108.221 -1.029 . . . . 10.0 108.221 175.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 86.3 mt -74.48 106.89 6.29 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.162 0.506 . . . . 10.0 110.916 -168.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.5 t -128.91 -171.22 2.42 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.215 1.406 . . . . 10.0 109.54 170.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -42.94 -45.25 4.94 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.922 1.689 . . . . 10.0 112.825 -175.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.46 -56.66 22.07 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 123.719 0.676 . . . . 10.0 113.245 178.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.44 -42.22 98.67 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.333 1.053 . . . . 10.0 110.299 -177.235 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.3 mt -67.93 -40.28 83.37 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.561 1.144 . . . . 10.0 110.74 -178.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . 0.308 6.3 m-20 -70.32 -35.36 73.58 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 115.51 1.67 . . . . 10.0 115.51 168.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -54.89 -42.14 71.77 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 121.135 1.789 . . . . 10.0 110.348 169.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 83.5 mt -68.18 -44.62 84.09 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 CA-C-O 118.288 -0.863 . . . . 10.0 112.091 171.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 p -58.81 -40.63 84.64 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 120.34 1.427 . . . . 10.0 111.595 177.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.6 t -68.6 -43.95 75.38 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.648 1.579 . . . . 10.0 111.688 175.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -60.01 -42.37 94.16 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 118.692 0.678 . . . . 10.0 111.845 174.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.0 mt -65.61 -46.9 77.56 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.814 0.846 . . . . 10.0 111.805 175.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -58.31 -49.05 78.54 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 118.742 0.701 . . . . 10.0 111.904 176.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.69 -40.29 91.66 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-O 118.714 -0.66 . . . . 10.0 111.192 174.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.3 m -60.93 -45.3 95.22 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 118.843 0.747 . . . . 10.0 110.81 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 57.3 mt -66.15 -46.45 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 118.934 0.788 . . . . 10.0 111.072 174.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.3 t -60.57 -50.46 73.43 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.623 0.647 . . . . 10.0 112.085 -177.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -63.79 -35.27 80.05 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.098 0.959 . . . . 10.0 111.865 175.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.416 ' CE1' ' HD3' ' A' ' 29' ' ' ARG . 22.9 t80 -65.42 -45.0 85.59 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.439 -0.788 . . . . 10.0 111.949 172.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.6 mt -60.05 -45.08 96.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 O-C-N 121.029 -1.044 . . . . 10.0 109.348 174.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.6 mp -64.07 -27.41 69.08 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.794 1.035 . . . . 10.0 113.794 175.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.8 ptmt -86.85 6.61 30.95 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 119.935 1.243 . . . . 10.0 113.381 169.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.416 ' HD3' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -113.7 -48.84 2.91 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 126.148 1.779 . . . . 10.0 113.316 174.109 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.5 p -151.56 146.07 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 125.021 1.329 . . . . 10.0 110.107 -178.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.0 t -68.36 136.96 54.18 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 114.403 1.26 . . . . 10.0 114.403 -169.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.62 -24.43 3.28 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.433 1.493 . . . . 10.0 112.891 168.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -91.92 -9.91 41.46 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 114.577 1.325 . . . . 10.0 114.577 175.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -92.69 -20.26 20.99 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 125.41 1.484 . . . . 10.0 111.383 169.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.9 mt -79.54 128.41 38.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 130.99 3.716 . . . . 10.0 110.891 172.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 23.4 t -74.06 -50.62 27.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 123.968 0.907 . . . . 10.0 108.937 166.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -162.45 174.56 12.55 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.144 0.794 . . . . 10.0 113.144 170.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.4 pt -132.16 141.87 44.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 125.35 1.46 . . . . 10.0 110.156 170.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -127.43 111.1 13.46 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 124.231 1.012 . . . . 10.0 108.352 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.4 mt -129.44 118.86 46.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 109.046 -0.724 . . . . 10.0 109.046 -173.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.0 m -119.77 117.98 29.65 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 124.751 1.221 . . . . 10.0 108.378 175.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 68.0 t -106.58 125.57 62.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 N-CA-C 107.224 -1.399 . . . . 10.0 107.224 173.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.1 mp -117.67 139.02 51.58 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.494 1.118 . . . . 10.0 108.533 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.6 p -139.66 134.87 39.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 108.444 -0.947 . . . . 10.0 108.444 176.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -143.86 157.42 44.38 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 124.146 0.978 . . . . 10.0 110.281 -169.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -139.87 108.19 5.82 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 109.589 -0.522 . . . . 10.0 109.589 177.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.36 80.58 1.94 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.819 1.248 . . . . 10.0 108.9 178.052 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.0 t70 62.74 -43.89 0.19 Allowed 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 127.409 2.283 . . . . 10.0 112.79 -167.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -106.56 159.68 16.0 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 127.018 2.127 . . . . 10.0 111.097 167.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 tt -93.05 129.39 39.01 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.575 1.95 . . . . 10.0 109.894 -175.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -121.57 141.37 51.15 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.369 0.668 . . . . 10.0 111.605 173.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.8 t -136.05 124.88 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 N-CA-C 106.408 -1.701 . . . . 10.0 106.408 172.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -133.23 125.52 29.55 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 124.561 1.145 . . . . 10.0 108.226 -173.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 37.9 mt -120.93 123.73 70.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 N-CA-C 108.259 -1.015 . . . . 10.0 108.259 -172.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 27.7 t -122.93 122.2 38.01 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 124.52 1.128 . . . . 10.0 108.904 176.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.25 139.91 49.74 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.024 0.93 . . . . 10.0 110.635 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -129.19 139.19 51.99 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 126.555 1.942 . . . . 10.0 109.278 175.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -128.13 112.73 14.88 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 125.631 1.572 . . . . 10.0 107.84 -172.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -113.96 102.89 10.62 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 108.649 -0.871 . . . . 10.0 108.649 -175.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.3 mt -85.12 152.07 23.66 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 126.105 1.762 . . . . 10.0 111.391 176.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -58.25 147.32 31.01 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.873 0.694 . . . . 10.0 112.873 171.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -68.5 41.12 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 128.77 2.828 . . . . 10.0 112.718 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.0 tt -160.58 -32.92 0.05 Allowed 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 128.71 2.804 . . . . 10.0 110.973 -169.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.5 m -64.96 162.1 17.22 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.738 1.615 . . . . 10.0 112.099 173.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -155.55 116.43 3.87 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.679 1.592 . . . . 10.0 106.867 -177.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -137.75 -176.58 4.47 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.713 2.005 . . . . 10.0 112.065 -173.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -85.29 143.81 39.83 Favored Pre-proline 0 CA--C 1.547 0.862 0 O-C-N 120.949 -1.094 . . . . 10.0 113.158 -166.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -74.74 51.51 2.71 Favored 'Trans proline' 0 CA--C 1.545 1.064 1 C-N-CA 126.079 4.519 . . . . 10.0 113.208 -174.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.01 -3.08 0.03 OUTLIER Glycine 0 CA--C 1.537 1.417 0 C-N-CA 127.323 2.392 . . . . 10.0 114.348 -177.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.9 tt -57.63 -25.81 25.7 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 N-CA-C 115.17 1.544 . . . . 10.0 115.17 -169.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.8 t -80.08 -51.33 16.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 124.975 1.31 . . . . 10.0 110.411 174.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -54.33 -36.08 63.39 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 125.614 1.566 . . . . 10.0 111.519 177.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -63.38 -36.48 83.85 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 122.843 0.457 . . . . 10.0 110.444 175.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.85 -41.87 70.89 Favored 'General case' 0 C--N 1.342 0.246 0 CA-C-N 119.083 0.856 . . . . 10.0 111.349 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.3 t -69.24 -45.99 78.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-O 119.264 -0.398 . . . . 10.0 110.087 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -58.7 -42.48 88.71 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.121 1.368 . . . . 10.0 111.865 172.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.51 -41.07 98.53 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.691 0.678 . . . . 10.0 111.1 175.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.38 -44.79 93.73 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 118.135 -0.936 . . . . 10.0 112.168 172.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -65.33 -43.82 89.71 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.949 1.249 . . . . 10.0 112.032 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 45.9 mtm180 -72.79 -35.18 67.34 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.192 0.812 . . . . 10.0 113.192 178.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 21.9 t -67.11 -32.56 73.78 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 118.03 -0.986 . . . . 10.0 111.888 171.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -67.41 -46.21 73.87 Favored 'General case' 0 C--N 1.34 0.184 0 CA-C-N 119.275 0.943 . . . . 10.0 110.652 171.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -59.02 -41.17 87.12 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 118.588 -0.72 . . . . 10.0 111.901 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.1 t -78.9 -32.74 45.86 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.313 0.961 . . . . 10.0 113.053 175.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -58.85 -39.17 80.51 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 119.697 -1.877 . . . . 10.0 111.425 169.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.47 -22.0 61.87 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 116.713 -1.613 . . . . 10.0 114.002 170.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . 0.252 0.4 OUTLIER -58.41 -28.36 65.15 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 121.466 1.939 . . . . 10.0 110.813 168.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -67.77 -4.65 34.34 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 124.282 0.944 . . . . 10.0 115.3 170.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -134.79 -31.56 1.03 Allowed 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 119.118 1.459 . . . . 10.0 114.614 -178.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -117.21 -17.14 10.29 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.871 1.668 . . . . 10.0 113.249 -174.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 . . . . . 0 C--O 1.251 1.182 0 CA-C-O 115.41 -2.233 . . . . 10.0 112.482 -171.614 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.9 ptp . . . . . 0 N--CA 1.483 1.202 0 CA-C-O 118.186 -0.911 . . . . 10.0 110.009 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m 47.71 37.02 6.28 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 114.936 1.458 . . . . 10.0 114.936 170.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 67.1 mt -61.53 164.89 5.36 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.753 1.621 . . . . 10.0 112.754 -174.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -118.34 170.81 8.6 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.958 1.303 . . . . 10.0 112.745 -168.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -66.12 114.82 5.54 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 106.878 -1.527 . . . . 10.0 106.878 169.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 78.0 mt -74.55 114.46 12.99 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.255 0.55 . . . . 10.0 110.935 -168.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.0 t -135.35 -168.72 2.24 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.323 1.449 . . . . 10.0 110.158 175.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -47.12 -43.75 20.93 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.423 1.489 . . . . 10.0 112.626 -174.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.45 -49.13 76.73 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 123.543 0.592 . . . . 10.0 113.58 178.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.41 -42.29 88.04 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 117.86 0.83 . . . . 10.0 111.001 177.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.3 mp -62.04 -40.58 96.21 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.021 0.929 . . . . 10.0 113.136 175.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -66.2 -46.06 78.61 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 119.355 0.98 . . . . 10.0 111.734 170.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -44.33 96.95 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 118.544 0.611 . . . . 10.0 111.73 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 75.1 mt -66.95 -42.43 88.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 123.743 0.817 . . . . 10.0 110.206 177.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.8 m -61.66 -40.68 95.77 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.698 -0.626 . . . . 10.0 111.346 177.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 t -68.51 -40.69 80.73 Favored 'General case' 0 C--N 1.341 0.233 0 CA-C-O 118.168 -0.92 . . . . 10.0 112.377 172.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -59.57 -41.2 89.66 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 119.657 1.117 . . . . 10.0 111.509 176.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.1 mt -66.81 -49.43 65.84 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.704 0.801 . . . . 10.0 111.856 174.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -56.34 -48.85 75.91 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.767 0.712 . . . . 10.0 111.583 174.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -62.15 -37.79 86.54 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.658 0.783 . . . . 10.0 111.524 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 95.1 m -61.11 -46.49 90.37 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.291 0.95 . . . . 10.0 111.173 176.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 39.7 mt -65.93 -43.79 92.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-N 118.314 0.506 . . . . 10.0 110.607 175.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.4 t -57.22 -50.96 71.23 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.73 0.812 . . . . 10.0 111.953 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.26 -38.87 77.77 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 114.862 1.43 . . . . 10.0 114.862 169.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -67.33 -45.5 76.25 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.574 1.079 . . . . 10.0 110.484 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 60.3 mt -60.02 -49.66 83.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 124.064 0.946 . . . . 10.0 110.363 174.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.07 -21.27 64.81 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 114.101 1.148 . . . . 10.0 114.101 177.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -101.63 10.65 39.97 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.86 1.264 . . . . 10.0 112.728 173.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -119.57 -37.82 3.09 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.361 1.464 . . . . 10.0 113.749 171.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.1 t -147.0 147.79 17.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 125.395 1.478 . . . . 10.0 109.905 178.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.6 t -73.66 136.94 43.86 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 113.879 1.066 . . . . 10.0 113.879 -177.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.78 -24.34 3.39 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.005 1.322 . . . . 10.0 113.022 167.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -87.07 -2.46 58.65 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.803 1.409 . . . . 10.0 114.803 173.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -108.14 -28.23 9.63 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 126.282 1.833 . . . . 10.0 110.582 172.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 90.1 mt -75.9 128.29 37.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 C-N-CA 127.793 2.437 . . . . 10.0 110.359 169.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 36.5 t -72.59 -52.45 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 C-N-CA 123.58 0.752 . . . . 10.0 109.331 168.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -164.71 177.03 8.3 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.865 0.866 . . . . 10.0 112.123 172.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 15.0 pt -135.24 129.5 50.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 125.523 1.529 . . . . 10.0 110.906 175.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -98.95 118.81 36.56 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 108.221 -1.029 . . . . 10.0 108.221 168.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 57.1 mt -131.19 124.46 55.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 N-CA-C 108.453 -0.943 . . . . 10.0 108.453 172.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 52.7 m -119.73 120.28 36.11 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 125.924 1.69 . . . . 10.0 107.765 175.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.2 t -115.49 120.24 64.15 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.145 0 N-CA-C 107.322 -1.362 . . . . 10.0 107.322 171.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -117.84 139.25 51.37 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 124.99 1.316 . . . . 10.0 108.936 179.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.4 p -133.89 139.46 48.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 C-N-CA 123.435 0.694 . . . . 10.0 109.308 177.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.9 158.05 43.94 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.238 1.415 . . . . 10.0 110.223 -168.312 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -142.33 100.9 3.8 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.453 0.701 . . . . 10.0 109.651 174.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.9 t -131.1 82.5 2.05 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.899 1.28 . . . . 10.0 108.553 -178.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.7 t70 66.7 -44.61 0.44 Allowed 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 128.2 2.6 . . . . 10.0 112.494 -167.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -107.53 157.78 17.75 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.133 1.773 . . . . 10.0 110.672 168.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.9 tt -85.27 129.06 34.89 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.034 1.333 . . . . 10.0 108.059 173.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -131.26 147.1 52.55 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.693 0.797 . . . . 10.0 110.993 -179.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 67.9 t -136.04 135.06 50.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 C-N-CA 124.899 1.28 . . . . 10.0 108.451 176.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -108.29 140.94 40.82 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 107.313 -1.366 . . . . 10.0 107.313 166.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.1 mt -131.63 110.09 16.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 N-CA-C 105.517 -2.031 . . . . 10.0 105.517 169.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 56.4 m -120.78 121.67 38.68 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 107.546 -1.279 . . . . 10.0 107.546 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.45 149.63 52.46 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.05 0.94 . . . . 10.0 111.988 -177.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.95 147.4 35.16 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.654 1.582 . . . . 10.0 110.408 172.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 54.9 tp -127.97 104.28 7.71 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.622 1.569 . . . . 10.0 110.148 -169.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -96.64 102.86 14.72 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 108.968 -0.753 . . . . 10.0 108.968 -177.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 45.3 mt -85.61 151.9 23.54 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.434 1.094 . . . . 10.0 111.27 174.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.482 ' C ' ' H ' ' A' ' 63' ' ' LEU . 26.0 t0 -59.05 147.15 35.8 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 112.147 0.425 . . . . 10.0 112.147 170.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -67.46 19.74 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.751 2.02 . . . . 10.0 113.896 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.482 ' H ' ' C ' ' A' ' 61' ' ' ASP . 14.1 tp -137.62 6.35 2.72 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 128.39 2.676 . . . . 10.0 111.457 -177.398 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.0 m -127.42 139.26 52.95 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.97 1.308 . . . . 10.0 111.605 -174.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -138.34 94.32 2.85 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.583 1.553 . . . . 10.0 110.13 -170.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.57 -173.92 3.92 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.952 1.701 . . . . 10.0 112.267 172.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -85.37 146.04 43.83 Favored Pre-proline 0 CA--C 1.548 0.878 0 O-C-N 121.044 -1.035 . . . . 10.0 111.559 -170.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -73.21 44.16 0.81 Allowed 'Trans proline' 0 CA--C 1.547 1.15 1 C-N-CA 126.209 4.606 . . . . 10.0 114.645 -169.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.14 9.93 0.02 OUTLIER Glycine 0 CA--C 1.537 1.45 0 C-N-CA 127.058 2.266 . . . . 10.0 114.141 177.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.8 tt -62.17 -23.12 30.92 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 CA-C-N 119.461 1.63 . . . . 10.0 114.696 -169.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.2 p -86.07 -30.14 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 124.189 0.995 . . . . 10.0 113.039 170.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -59.99 -36.06 76.38 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.642 1.11 . . . . 10.0 110.525 173.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -63.67 -36.69 84.68 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.17 0.588 . . . . 10.0 111.275 171.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.46 -43.12 81.8 Favored 'General case' 0 C--N 1.344 0.352 0 CA-C-N 119.011 0.823 . . . . 10.0 111.802 176.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.8 t -69.66 -41.31 80.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-O 118.324 -0.846 . . . . 10.0 110.82 178.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -58.73 -42.23 88.28 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 119.692 1.133 . . . . 10.0 111.512 170.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.81 -39.7 95.08 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.832 0.742 . . . . 10.0 111.323 177.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.12 -43.36 87.38 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.107 0.781 . . . . 10.0 113.107 171.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -63.94 -43.36 96.12 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.55 1.068 . . . . 10.0 111.963 178.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 -72.58 -30.35 64.31 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.792 0.837 . . . . 10.0 112.342 177.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 48.5 t -63.13 -45.88 89.87 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 121.807 -0.558 . . . . 10.0 110.376 168.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -62.97 -43.11 99.68 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.659 0.784 . . . . 10.0 111.499 176.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -58.81 -41.21 86.25 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.542 1.137 . . . . 10.0 111.165 175.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.7 t -78.3 -17.91 55.97 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.423 1.268 . . . . 10.0 114.423 174.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -79.98 -36.34 36.2 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.878 1.271 . . . . 10.0 110.964 176.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.75 6.14 2.71 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.826 1.251 . . . . 10.0 113.058 177.276 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -45.87 -32.23 2.53 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 127.463 2.305 . . . . 10.0 112.716 167.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -104.91 21.82 35.12 Favored Glycine 0 CA--C 1.536 1.352 0 CA-C-O 119.009 -0.884 . . . . 10.0 114.252 176.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -142.06 -23.73 0.69 Allowed 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 115.18 1.548 . . . . 10.0 115.18 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 -121.1 -6.81 9.45 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 114.904 1.446 . . . . 10.0 114.904 -171.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 . . . . . 0 C--O 1.254 1.305 0 C-N-CA 126.19 1.796 . . . . 10.0 110.378 169.513 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.9 mtt . . . . . 0 N--CA 1.482 1.169 0 N-CA-C 109.684 -0.487 . . . . 10.0 109.684 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.4 m -166.45 136.63 3.27 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.555 1.142 . . . . 10.0 109.736 169.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 77.3 mt -61.33 162.15 8.17 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.631 0.772 . . . . 10.0 110.906 170.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -114.8 -156.47 0.6 Allowed 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.942 1.297 . . . . 10.0 109.184 -179.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -56.83 113.9 1.85 Allowed 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 108.344 -0.984 . . . . 10.0 108.344 169.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 73.2 mt -74.7 105.89 6.0 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 108.313 -0.995 . . . . 10.0 108.313 -176.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.6 t -153.41 -172.72 4.32 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 126.997 2.119 . . . . 10.0 107.959 -175.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -40.92 -47.19 2.94 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.987 1.715 . . . . 10.0 113.211 -177.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.8 -59.49 9.11 Favored Glycine 0 CA--C 1.535 1.342 0 CA-C-N 119.07 0.85 . . . . 10.0 114.609 178.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.53 -42.65 99.13 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 117.796 0.798 . . . . 10.0 111.226 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.0 mt -70.15 -39.35 75.4 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-O 118.666 -0.683 . . . . 10.0 112.123 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -62.24 -46.13 90.23 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 119.354 0.979 . . . . 10.0 111.296 171.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -62.51 -37.86 87.69 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.113 0.869 . . . . 10.0 112.137 176.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.9 mt -64.7 -39.68 86.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 O-C-N 120.85 -1.156 . . . . 10.0 110.347 172.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.0 p -59.58 -38.33 80.9 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.494 1.043 . . . . 10.0 112.58 171.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.18 -43.86 90.32 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 125.271 1.428 . . . . 10.0 111.36 174.086 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -60.19 -42.6 95.41 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.671 0.788 . . . . 10.0 111.477 174.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.1 mt -65.18 -49.7 68.79 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.635 0.774 . . . . 10.0 111.819 175.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.7 t-160 -59.03 -44.71 91.79 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.955 0.902 . . . . 10.0 111.928 179.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -63.19 -43.4 98.3 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 118.65 -0.69 . . . . 10.0 111.473 172.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.2 m -61.05 -46.68 89.71 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.292 0.951 . . . . 10.0 111.812 -178.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 57.4 mt -64.13 -44.2 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 CA-C-N 118.232 0.469 . . . . 10.0 110.34 175.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.7 m -60.17 -47.57 85.38 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.219 0.608 . . . . 10.0 111.784 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -63.73 -38.63 91.82 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.022 0.929 . . . . 10.0 111.595 175.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -63.52 -45.43 90.65 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 118.921 0.782 . . . . 10.0 111.762 174.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 54.3 mt -59.89 -49.41 84.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 C-N-CA 123.583 0.753 . . . . 10.0 109.323 175.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.61 -28.55 69.97 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.747 1.017 . . . . 10.0 113.747 176.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.5 0.27 50.38 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 119.882 1.219 . . . . 10.0 113.631 171.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -116.12 -37.98 3.71 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.041 1.336 . . . . 10.0 114.449 177.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.4 p -148.02 149.41 15.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.083 1.353 . . . . 10.0 110.788 -170.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.3 t -88.16 136.51 32.94 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 115.782 1.771 . . . . 10.0 115.782 -168.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.69 -24.28 3.25 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.003 1.321 . . . . 10.0 113.162 167.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.0 -16.02 61.08 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 115.064 1.505 . . . . 10.0 115.064 173.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -115.65 -25.32 7.89 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.384 1.474 . . . . 10.0 111.876 177.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.4 mm -73.01 121.04 22.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 124.57 1.148 . . . . 10.0 108.644 167.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.2 t -72.55 -49.4 41.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 C-N-CA 123.554 0.742 . . . . 10.0 109.419 168.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -161.67 175.56 11.9 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.352 0.871 . . . . 10.0 113.352 173.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.2 pt -133.09 143.16 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 C-N-CA 125.733 1.613 . . . . 10.0 110.884 170.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -123.34 130.83 53.28 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 106.096 -1.816 . . . . 10.0 106.096 167.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 47.6 mt -131.22 123.43 53.36 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.267 0 N-CA-C 106.893 -1.521 . . . . 10.0 106.893 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.2 m -119.66 117.51 28.48 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 107.676 -1.231 . . . . 10.0 107.676 -174.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.2 t -115.75 129.63 71.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 N-CA-C 108.146 -1.057 . . . . 10.0 108.146 175.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -115.56 133.98 55.51 Favored 'General case' 0 C--N 1.334 -0.098 0 N-CA-C 107.8 -1.185 . . . . 10.0 107.8 171.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.4 p -139.96 132.96 35.15 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 123.442 0.697 . . . . 10.0 110.491 177.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -153.26 160.23 42.72 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.013 0.925 . . . . 10.0 111.79 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -127.47 108.94 11.25 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.169 0.588 . . . . 10.0 109.822 174.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.5 t -131.29 80.7 1.95 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.919 1.288 . . . . 10.0 108.474 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 59.97 -36.94 0.08 Allowed 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 128.445 2.698 . . . . 10.0 114.347 -166.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -108.02 156.52 19.15 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 129.029 2.931 . . . . 10.0 109.321 168.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.6 tp -85.33 129.11 34.88 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.382 1.073 . . . . 10.0 109.58 171.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -117.69 126.98 53.46 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 108.641 -0.874 . . . . 10.0 108.641 169.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.5 p -136.27 123.52 33.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 C-N-CA 124.664 1.186 . . . . 10.0 108.002 169.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -136.62 136.71 39.41 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 124.698 1.199 . . . . 10.0 108.671 -169.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 51.9 mt -132.18 135.82 57.54 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 C-N-CA 123.916 0.887 . . . . 10.0 110.131 -168.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.5 t -131.11 139.4 49.83 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 125.233 1.413 . . . . 10.0 108.005 167.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.23 138.32 49.29 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 121.599 0.714 . . . . 10.0 109.506 170.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -126.76 128.93 47.39 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 126.353 1.861 . . . . 10.0 107.44 -172.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 50.7 tp -127.84 117.0 21.02 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 124.356 1.062 . . . . 10.0 108.939 -170.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -113.63 106.96 15.14 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.23 -0.656 . . . . 10.0 109.23 -171.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -82.27 151.86 26.6 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.815 1.646 . . . . 10.0 111.962 176.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -61.07 147.39 43.96 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.01 167.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -64.94 4.43 0.44 Allowed 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.7 1.37 . . . . 10.0 114.7 -178.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 86.3 mt -126.06 21.86 7.39 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 127.909 2.484 . . . . 10.0 111.64 175.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 65.5 m -148.79 160.28 43.36 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 120.118 -1.614 . . . . 10.0 112.774 172.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -158.89 103.25 1.69 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.509 1.124 . . . . 10.0 109.503 -169.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.57 -174.38 1.1 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.62 1.568 . . . . 10.0 113.45 176.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -85.26 143.65 39.63 Favored Pre-proline 0 CA--C 1.547 0.858 0 O-C-N 120.59 -1.319 . . . . 10.0 111.742 -170.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -73.56 60.63 4.26 Favored 'Trans proline' 0 CA--C 1.544 1.013 1 C-N-CA 125.811 4.341 . . . . 10.0 113.237 -171.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 166.51 -9.36 0.06 OUTLIER Glycine 0 CA--C 1.535 1.342 0 C-N-CA 126.407 1.956 . . . . 10.0 114.297 -177.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.1 tt -55.09 -27.88 20.13 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 C-N-CA 125.759 1.623 . . . . 10.0 114.835 -172.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 79.5 t -78.79 -51.55 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 125.612 1.565 . . . . 10.0 110.856 174.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -53.68 -37.72 63.49 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.279 1.032 . . . . 10.0 111.323 175.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -63.77 -38.6 91.69 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 119.035 -0.507 . . . . 10.0 111.953 171.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.29 -41.5 80.86 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 119.367 0.985 . . . . 10.0 111.441 178.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.0 t -71.33 -41.2 74.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 CA-C-O 118.699 -0.667 . . . . 10.0 110.728 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -58.73 -42.93 89.92 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.81 1.244 . . . . 10.0 111.672 169.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.91 -39.38 94.37 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 118.88 -0.581 . . . . 10.0 111.105 175.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.14 -45.01 90.4 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.003 0.819 . . . . 10.0 112.508 170.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -65.43 -43.66 89.78 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.468 1.031 . . . . 10.0 112.43 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 47.4 mtm180 -72.77 -29.35 63.23 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 113.391 0.886 . . . . 10.0 113.391 176.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.8 m -67.17 -43.05 83.21 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 118.464 0.575 . . . . 10.0 110.804 169.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 40.3 tp -63.46 -44.72 93.65 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 123.622 0.769 . . . . 10.0 111.835 175.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -61.09 -41.6 96.96 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.108 0.563 . . . . 10.0 111.156 175.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -68.15 -35.95 78.89 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.672 0.789 . . . . 10.0 112.179 177.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -70.12 -42.29 72.83 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.938 1.295 . . . . 10.0 111.367 174.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.0 tp -72.44 -31.88 65.84 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 118.639 0.654 . . . . 10.0 111.695 -179.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -57.63 -19.81 28.86 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.517 0.727 . . . . 10.0 112.023 167.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -91.17 -3.75 69.5 Favored Glycine 0 CA--C 1.534 1.226 0 CA-C-O 118.625 -1.097 . . . . 10.0 114.429 174.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -138.51 -8.24 1.47 Allowed 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 115.474 1.657 . . . . 10.0 115.474 -173.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -137.26 -36.54 0.65 Allowed 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 114.807 1.41 . . . . 10.0 114.807 176.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 . . . . . 0 C--O 1.255 1.349 0 CA-C-O 116.997 -1.478 . . . . 10.0 112.273 -167.597 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.482 1.171 0 CA-C-O 119.279 -0.391 . . . . 10.0 110.801 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.0 t -142.42 35.09 1.47 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.964 1.306 . . . . 10.0 111.754 177.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 79.7 mt -67.6 170.58 7.48 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.574 1.55 . . . . 10.0 112.902 -175.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -125.41 178.48 5.59 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.73 1.212 . . . . 10.0 113.061 -167.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -60.74 116.65 4.57 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.346 1.058 . . . . 10.0 108.871 169.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 mp -74.55 121.02 20.91 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.322 0.582 . . . . 10.0 111.168 -168.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.5 t -140.33 -170.82 3.07 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.122 1.369 . . . . 10.0 110.078 169.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -46.77 -39.09 11.1 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.838 1.655 . . . . 10.0 113.498 -175.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.46 -45.07 91.86 Favored Glycine 0 CA--C 1.533 1.211 0 CA-C-O 119.299 -0.723 . . . . 10.0 113.701 176.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.67 -40.31 80.22 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 118.61 1.205 . . . . 10.0 111.275 176.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.2 mp -64.88 -38.82 92.25 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 117.783 -1.103 . . . . 10.0 112.203 175.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -67.04 -46.19 75.14 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 120.109 1.322 . . . . 10.0 110.088 168.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -55.06 -43.88 74.25 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 120.273 1.397 . . . . 10.0 111.173 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.3 mt -68.66 -49.15 67.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 124.098 0.959 . . . . 10.0 111.418 174.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.2 t -60.03 -45.83 91.52 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.768 1.167 . . . . 10.0 112.709 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.2 m -66.32 -40.9 90.23 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.395 1.878 . . . . 10.0 111.452 175.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -61.23 -41.83 97.55 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.562 1.074 . . . . 10.0 112.457 171.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.0 mt -65.91 -44.59 84.73 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.524 0.73 . . . . 10.0 111.44 175.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -58.02 -48.66 79.4 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.263 0.625 . . . . 10.0 111.304 174.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.6 -41.49 94.84 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-O 118.817 -0.611 . . . . 10.0 111.769 172.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 94.4 m -60.99 -43.55 98.7 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.474 1.034 . . . . 10.0 111.014 -176.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 54.7 mt -69.86 -48.33 64.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 118.259 0.482 . . . . 10.0 111.029 173.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.8 t -60.69 -47.23 87.17 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 118.553 0.615 . . . . 10.0 112.141 -175.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -65.39 -38.74 90.9 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 118.138 -0.934 . . . . 10.0 111.863 173.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -59.51 -45.7 90.95 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 120.274 1.397 . . . . 10.0 110.699 173.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 46.4 mt -61.94 -52.89 55.08 Favored 'Isoleucine or valine' 0 C--N 1.342 0.242 0 CA-C-O 118.001 -1.0 . . . . 10.0 109.581 177.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -59.08 -32.45 69.8 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.714 1.143 . . . . 10.0 113.382 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -85.04 -2.66 58.24 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.591 1.157 . . . . 10.0 113.457 176.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -117.85 -33.18 4.57 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.366 1.466 . . . . 10.0 113.013 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 43.5 t -140.33 129.29 26.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 126.601 1.96 . . . . 10.0 109.066 169.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.7 t -69.61 136.34 51.1 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 121.838 -0.539 . . . . 10.0 112.207 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.93 -24.68 3.82 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.078 1.751 . . . . 10.0 114.862 178.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.7 ptmm? -57.62 -23.93 53.73 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 120.396 1.453 . . . . 10.0 114.698 171.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -86.64 -13.5 45.42 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.601 1.56 . . . . 10.0 112.842 174.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 77.3 mt -105.47 127.24 60.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 124.76 1.224 . . . . 10.0 109.874 -168.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 47.0 t -70.93 -52.22 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 108.824 -0.806 . . . . 10.0 108.824 169.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -164.62 177.24 8.21 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.712 0.805 . . . . 10.0 112.41 171.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.1 pt -131.59 136.53 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 125.398 1.479 . . . . 10.0 110.205 168.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -108.86 129.16 55.4 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 105.63 -1.989 . . . . 10.0 105.63 166.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 69.2 mt -131.26 123.48 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 N-CA-C 107.064 -1.458 . . . . 10.0 107.064 173.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 81.9 m -119.61 117.47 28.41 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 108.194 -1.039 . . . . 10.0 108.194 178.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.9 t -116.04 120.03 63.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 C-N-CA 124.692 1.197 . . . . 10.0 109.457 172.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 mp -117.08 139.26 50.93 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 125.978 1.711 . . . . 10.0 108.884 176.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.0 p -139.23 131.06 35.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 C-N-CA 123.746 0.819 . . . . 10.0 108.906 177.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -151.83 160.05 43.68 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 121.927 0.87 . . . . 10.0 112.147 -178.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -135.45 113.99 11.7 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 108.284 -1.006 . . . . 10.0 108.284 -172.018 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.435 ' C ' ' H ' ' A' ' 49' ' ' GLU . 0.8 OUTLIER -131.39 80.12 1.92 Allowed 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 108.011 -1.107 . . . . 10.0 108.011 179.552 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.6 t70 59.54 -35.75 0.07 Allowed 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 126.104 1.761 . . . . 10.0 113.585 -165.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.435 ' H ' ' C ' ' A' ' 47' ' ' THR . 13.5 pt-20 -98.11 159.66 14.79 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 129.799 3.239 . . . . 10.0 109.244 168.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 33.8 tp -104.83 129.09 53.2 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 108.41 -0.959 . . . . 10.0 108.41 168.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.78 150.36 49.44 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 122.614 1.197 . . . . 10.0 112.866 168.183 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.9 p -136.28 134.48 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 126.36 1.864 . . . . 10.0 107.91 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -131.72 131.02 42.7 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 125.493 1.517 . . . . 10.0 108.42 -169.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.2 mt -132.13 130.49 60.86 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 C-N-CA 124.172 0.989 . . . . 10.0 108.837 -169.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.8 t -128.43 134.98 48.9 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 107.511 -1.292 . . . . 10.0 107.511 167.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.29 138.1 49.12 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 121.326 0.584 . . . . 10.0 109.439 169.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -129.02 135.46 48.98 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 125.556 1.542 . . . . 10.0 107.889 -176.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 53.4 tp -126.68 104.35 8.04 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 124.332 1.053 . . . . 10.0 108.322 -172.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -100.08 102.79 14.23 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 107.576 -1.268 . . . . 10.0 107.576 -175.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 52.1 mt -85.45 151.9 23.62 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 124.974 1.31 . . . . 10.0 111.596 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.44 ' C ' ' H ' ' A' ' 63' ' ' LEU . 28.4 t0 -61.76 147.14 47.19 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.847 170.368 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -69.73 16.61 0.06 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.202 1.801 . . . . 10.0 113.529 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.44 ' H ' ' C ' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -131.57 4.9 4.3 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 127.883 2.473 . . . . 10.0 112.042 -178.529 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.7 t -111.78 174.43 5.88 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.699 1.2 . . . . 10.0 112.82 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -158.99 115.93 2.73 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.326 1.85 . . . . 10.0 108.529 -174.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -130.84 -173.86 3.21 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.649 1.979 . . . . 10.0 112.698 -178.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.421 ' H ' HD11 ' A' ' 70' ' ' ILE . 39.3 m-20 -85.39 142.52 37.84 Favored Pre-proline 0 CA--C 1.548 0.885 0 O-C-N 120.769 -1.207 . . . . 10.0 110.793 -169.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -73.67 41.96 0.66 Allowed 'Trans proline' 0 CA--C 1.549 1.233 1 C-N-CA 125.533 4.155 . . . . 10.0 113.959 -176.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.07 19.17 0.03 OUTLIER Glycine 0 CA--C 1.542 1.719 0 C-N-CA 127.628 2.537 . . . . 10.0 113.442 175.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.421 HD11 ' H ' ' A' ' 67' ' ' ASP . 4.4 tt -65.15 -29.74 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 N-CA-C 114.36 1.244 . . . . 10.0 114.36 -168.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.2 p -86.11 -33.66 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 C-N-CA 124.536 1.134 . . . . 10.0 112.13 175.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.57 -40.53 72.08 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.652 1.181 . . . . 10.0 111.078 174.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -64.01 -33.5 75.87 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 112.961 0.726 . . . . 10.0 112.961 170.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.99 -41.86 90.53 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 119.763 1.165 . . . . 10.0 111.368 172.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.3 t -67.32 -44.98 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 122.466 0.306 . . . . 10.0 110.842 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -58.64 -41.0 84.99 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.546 1.138 . . . . 10.0 111.764 172.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.85 -40.14 96.56 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 120.964 -1.085 . . . . 10.0 111.834 173.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.56 95.71 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.054 0.843 . . . . 10.0 112.139 172.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -63.34 -43.64 97.13 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.784 0.72 . . . . 10.0 112.557 177.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -72.28 -35.61 68.76 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 118.439 0.563 . . . . 10.0 112.143 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.7 t -68.28 -25.08 64.98 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 117.974 -1.012 . . . . 10.0 112.749 172.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 18.3 tp -76.15 -40.44 52.62 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 119.573 1.079 . . . . 10.0 111.446 169.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -58.84 -36.82 75.17 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.354 0.662 . . . . 10.0 111.14 176.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 97.0 p -79.57 -35.48 39.71 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 114.316 1.228 . . . . 10.0 114.316 169.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -58.89 -33.84 70.97 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 120.805 1.639 . . . . 10.0 112.262 174.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.56 9.62 0.16 Allowed 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 125.616 1.566 . . . . 10.0 113.995 174.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -50.95 -17.87 0.67 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 127.18 2.192 . . . . 10.0 113.178 166.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -102.12 6.18 53.52 Favored Glycine 0 CA--C 1.53 1.023 0 CA-C-O 118.481 -1.177 . . . . 10.0 114.644 173.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -142.57 -19.4 0.68 Allowed 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 115.47 1.655 . . . . 10.0 115.47 -169.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.5 mtt-85 -133.22 -5.11 3.03 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 116.84 2.163 . . . . 10.0 116.84 -171.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 . . . . . 0 C--O 1.251 1.136 0 CA-C-O 116.839 -1.553 . . . . 10.0 111.034 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.406 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.043 0 CA-C-O 118.126 -0.94 . . . . 10.0 110.337 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.3 t -145.26 9.83 1.26 Allowed 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 115.93 1.826 . . . . 10.0 115.93 178.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.45 ' H ' HD22 ' A' ' 3' ' ' LEU . 1.1 pt? -78.4 -175.28 4.17 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.603 1.161 . . . . 10.0 111.561 169.4 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -116.67 -169.19 1.58 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.262 1.025 . . . . 10.0 110.312 173.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -61.98 116.0 4.54 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.604 0.762 . . . . 10.0 109.171 177.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.9 mt -74.63 105.66 5.83 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 122.179 0.99 . . . . 10.0 108.438 -177.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -153.01 -175.15 5.2 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 128.207 2.603 . . . . 10.0 106.49 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -43.33 -40.54 3.63 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.801 2.04 . . . . 10.0 114.28 -172.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.0 -57.52 11.77 Favored Glycine 0 CA--C 1.534 1.22 0 CA-C-N 119.164 0.893 . . . . 10.0 113.708 177.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.96 -41.66 98.24 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 117.513 0.656 . . . . 10.0 110.949 177.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mp -64.11 -44.27 92.8 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.072 0.949 . . . . 10.0 113.497 176.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -66.71 -39.75 88.15 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 119.208 0.913 . . . . 10.0 111.462 174.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -66.29 -37.17 84.79 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.805 1.184 . . . . 10.0 112.485 174.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.0 mt -65.4 -42.14 92.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 O-C-N 120.719 -1.238 . . . . 10.0 110.569 172.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.0 t -58.53 -45.87 87.97 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.006 0.821 . . . . 10.0 111.557 172.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.05 -44.49 83.02 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.892 1.677 . . . . 10.0 111.693 173.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -68.09 -43.44 78.52 Favored 'General case' 0 C--O 1.236 0.372 0 O-C-N 121.727 -0.608 . . . . 10.0 112.208 -177.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -76.59 -36.94 57.24 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 113.667 0.988 . . . . 10.0 113.667 177.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -59.36 -47.54 85.02 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.531 1.06 . . . . 10.0 110.169 171.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -59.88 -41.18 91.02 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 112.388 0.514 . . . . 10.0 112.388 172.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.5 m -61.27 -45.85 92.79 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 118.793 0.724 . . . . 10.0 111.557 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 52.2 mt -66.1 -42.92 92.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 118.414 0.552 . . . . 10.0 110.924 175.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.4 t -57.94 -51.04 71.26 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.152 0.433 . . . . 10.0 111.712 176.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -58.93 -38.53 79.2 Favored 'General case' 0 C--N 1.344 0.33 0 CA-C-O 117.359 -1.305 . . . . 10.0 114.515 171.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -65.12 -46.08 82.48 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 120.157 1.344 . . . . 10.0 110.369 177.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.9 mt -63.71 -49.08 83.73 Favored 'Isoleucine or valine' 0 C--N 1.343 0.309 0 CA-C-N 118.594 0.634 . . . . 10.0 109.67 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.8 mp -65.18 -9.08 20.4 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 114.177 1.177 . . . . 10.0 114.177 177.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.6 mtmm -114.7 8.17 16.12 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.846 1.258 . . . . 10.0 113.333 171.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.95 -29.72 4.88 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 117.893 -1.051 . . . . 10.0 113.443 171.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.3 t -133.29 151.49 33.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 126.61 1.964 . . . . 10.0 109.237 173.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.9 t -77.91 136.17 37.98 Favored 'General case' 0 C--N 1.342 0.266 0 O-C-N 120.722 -1.236 . . . . 10.0 111.872 -178.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.69 -24.82 3.64 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.104 1.362 . . . . 10.0 113.294 169.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.18 -21.75 64.09 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.234 1.198 . . . . 10.0 114.234 171.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -106.67 -23.32 12.47 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.249 1.82 . . . . 10.0 111.919 -174.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 30.2 mm -70.94 108.54 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 C-N-CA 127.414 2.286 . . . . 10.0 108.325 178.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.7 t -73.16 -49.76 36.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 N-CA-C 108.636 -0.876 . . . . 10.0 108.636 169.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -163.1 175.45 11.05 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.361 0.664 . . . . 10.0 112.739 169.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.3 pt -138.68 139.21 41.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 C-N-CA 125.634 1.574 . . . . 10.0 109.902 171.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -124.53 116.71 22.91 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 124.106 0.962 . . . . 10.0 109.514 177.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 43.2 mt -131.13 127.16 60.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.135 0 C-N-CA 124.562 1.145 . . . . 10.0 108.618 -173.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.9 m -119.7 117.88 29.42 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 124.612 1.165 . . . . 10.0 108.666 175.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 65.5 t -99.4 129.54 49.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 N-CA-C 105.843 -1.91 . . . . 10.0 105.843 167.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 75.4 mt -117.51 139.04 51.46 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 107.958 -1.127 . . . . 10.0 107.958 172.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.4 p -139.82 132.07 34.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 124.43 1.092 . . . . 10.0 109.005 178.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -147.51 159.9 43.22 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.726 1.211 . . . . 10.0 109.459 -174.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -140.27 105.92 5.12 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 107.353 -1.351 . . . . 10.0 107.353 177.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.0 t -131.15 80.58 1.95 Allowed 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.791 1.237 . . . . 10.0 107.914 -177.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.5 t70 62.6 -41.68 0.17 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 127.805 2.442 . . . . 10.0 113.084 -166.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -105.16 153.52 21.42 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 127.611 2.365 . . . . 10.0 109.895 169.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 56.2 tp -85.23 129.09 34.88 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.86 1.264 . . . . 10.0 109.177 175.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -128.68 136.28 50.41 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.194 0.998 . . . . 10.0 110.314 -173.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 76.2 t -136.14 143.3 36.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 C-N-CA 124.846 1.258 . . . . 10.0 109.123 173.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -129.94 144.25 51.22 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 106.915 -1.513 . . . . 10.0 106.915 166.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 19.7 mt -130.65 120.49 48.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 N-CA-C 105.924 -1.88 . . . . 10.0 105.924 168.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.1 m -128.58 121.94 29.87 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 107.561 -1.274 . . . . 10.0 107.561 -175.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.28 146.77 52.44 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.211 1.004 . . . . 10.0 111.846 -172.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -139.37 147.58 41.69 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.647 1.179 . . . . 10.0 110.413 172.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 29.1 tp -124.93 128.21 48.27 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 125.81 1.644 . . . . 10.0 109.985 -168.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -114.18 107.96 16.32 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 121.95 0.881 . . . . 10.0 109.955 176.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.4 mt -96.45 152.07 18.96 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 125.81 1.644 . . . . 10.0 110.938 173.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.472 ' C ' ' H ' ' A' ' 63' ' ' LEU . 42.1 t0 -61.65 147.23 46.55 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 115.955 -0.566 . . . . 10.0 111.465 169.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -66.66 20.3 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 127.56 2.344 . . . . 10.0 113.462 -178.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.472 ' H ' ' C ' ' A' ' 61' ' ' ASP . 96.2 mt -136.8 5.09 2.84 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 128.266 2.626 . . . . 10.0 112.293 -173.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.31 143.36 50.46 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.893 1.277 . . . . 10.0 111.382 175.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -133.03 94.2 3.32 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 123.613 1.673 . . . . 10.0 109.134 -174.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.75 -176.45 6.09 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 113.261 -1.791 . . . . 10.0 112.414 172.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -85.31 141.76 37.33 Favored Pre-proline 0 CA--C 1.547 0.846 0 O-C-N 121.119 -0.988 . . . . 10.0 111.844 -168.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -73.99 58.56 4.18 Favored 'Trans proline' 0 CA--C 1.544 0.977 1 C-N-CA 125.969 4.446 . . . . 10.0 113.199 -171.287 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 169.64 -6.72 0.04 OUTLIER Glycine 0 CA--C 1.537 1.418 0 C-N-CA 126.717 2.103 . . . . 10.0 114.494 -176.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.1 tt -56.11 -29.43 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-N 119.308 1.554 . . . . 10.0 115.178 -171.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.7 t -71.85 -52.39 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.119 0.967 . . . . 10.0 109.943 173.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -58.42 -38.95 78.47 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.62 1.168 . . . . 10.0 111.405 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -63.88 -35.43 80.62 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 122.138 -0.351 . . . . 10.0 111.764 172.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.2 -42.84 83.47 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.878 0.763 . . . . 10.0 111.078 176.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.6 t -69.46 -41.97 80.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-O 119.1 -0.476 . . . . 10.0 111.293 178.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -58.68 -41.2 85.66 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.923 1.289 . . . . 10.0 111.216 172.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.99 -40.57 98.17 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.914 -0.491 . . . . 10.0 111.623 172.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.27 -40.55 96.19 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 119.084 0.857 . . . . 10.0 112.984 172.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -63.99 -43.15 96.56 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.003 0.819 . . . . 10.0 112.087 175.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 75.9 mtt-85 -68.22 -36.55 79.68 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.278 0.631 . . . . 10.0 111.742 174.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.3 t -62.87 -48.21 79.98 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 118.622 -0.704 . . . . 10.0 109.867 176.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 27.3 tp -63.54 -43.43 97.12 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 118.906 0.776 . . . . 10.0 112.791 174.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -41.72 91.64 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 119.006 0.821 . . . . 10.0 112.053 178.161 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.4 m -83.04 -29.4 28.89 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 122.033 -0.417 . . . . 10.0 111.628 -178.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -61.68 -42.29 98.72 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.368 1.067 . . . . 10.0 110.643 168.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.8 tp -76.1 -34.27 59.49 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-N 118.677 0.671 . . . . 10.0 112.037 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -59.44 -31.17 69.05 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 118.017 0.371 . . . . 10.0 110.161 167.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -75.97 -12.55 83.91 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 124.1 0.857 . . . . 10.0 114.256 177.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.406 ' O ' ' HA ' ' A' ' 1' ' ' MET . 23.9 m-85 -128.31 -11.81 5.13 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 115.1 1.518 . . . . 10.0 115.1 -174.554 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 22.0 mtm180 -134.62 -41.99 0.77 Allowed 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 117.094 -1.432 . . . . 10.0 114.488 176.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 . . . . . 0 C--O 1.268 2.049 0 O-C-N 126.018 2.074 . . . . 10.0 108.4 -163.588 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 mpp? . . . . . 0 N--CA 1.483 1.18 0 CA-C-O 118.811 -0.614 . . . . 10.0 109.535 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 t -150.69 62.72 0.93 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.404 0.682 . . . . 10.0 111.19 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 88.9 mt -70.0 179.84 2.15 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.893 0.877 . . . . 10.0 111.69 170.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 84.4 mmt-85 -133.63 176.79 8.23 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.0 1.32 . . . . 10.0 110.808 -174.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -59.06 110.05 0.97 Allowed 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.823 -0.806 . . . . 10.0 108.823 171.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 90.6 mt -74.59 111.98 10.32 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 124.087 0.867 . . . . 10.0 110.13 -168.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.9 t -137.87 -170.75 2.85 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.432 1.493 . . . . 10.0 110.231 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.3 -40.8 3.7 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.147 1.779 . . . . 10.0 113.586 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.05 -52.42 44.86 Favored Glycine 0 CA--C 1.535 1.32 0 CA-C-N 119.128 0.876 . . . . 10.0 113.835 175.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.61 -40.57 97.25 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 118.766 1.283 . . . . 10.0 111.149 178.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.2 mp -64.96 -37.17 86.75 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.668 1.187 . . . . 10.0 112.986 175.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -69.22 -45.01 70.87 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 120.331 1.423 . . . . 10.0 110.784 168.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -54.81 -40.64 69.73 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 120.242 1.383 . . . . 10.0 111.314 178.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 88.6 mt -70.14 -49.14 57.56 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 123.241 0.616 . . . . 10.0 112.079 171.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.4 m -65.86 -45.44 82.11 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.204 -0.935 . . . . 10.0 111.768 -173.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.2 m -66.59 -35.17 79.54 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.907 1.283 . . . . 10.0 111.529 174.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -60.92 -42.47 98.19 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.976 1.262 . . . . 10.0 112.023 169.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.3 mt -66.58 -45.06 80.49 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 122.972 0.509 . . . . 10.0 111.43 176.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.0 t-160 -58.03 -48.6 79.58 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.325 0.511 . . . . 10.0 111.548 174.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.13 -40.47 93.94 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-O 118.699 -0.667 . . . . 10.0 111.007 175.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.3 m -61.01 -44.4 97.47 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.565 0.746 . . . . 10.0 111.044 -179.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 59.8 mt -67.91 -44.78 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 CA-C-N 118.395 0.543 . . . . 10.0 110.889 175.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.2 t -58.09 -47.77 82.2 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 118.32 0.509 . . . . 10.0 111.379 178.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -63.58 -38.85 92.71 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.529 1.132 . . . . 10.0 111.614 175.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -65.06 -45.67 84.38 Favored 'General case' 0 C--N 1.345 0.385 0 CA-C-N 119.247 0.93 . . . . 10.0 111.152 177.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.4 mt -59.94 -53.09 53.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 108.718 -0.845 . . . . 10.0 108.718 176.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.2 mp -61.49 -31.84 71.83 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.431 0.901 . . . . 10.0 113.431 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.88 -0.99 41.52 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 119.721 1.146 . . . . 10.0 113.749 173.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -123.37 -29.61 3.79 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 114.039 1.125 . . . . 10.0 114.039 -177.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.0 p -149.66 145.27 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 126.247 1.819 . . . . 10.0 109.898 171.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.8 t -74.3 136.79 42.61 Favored 'General case' 0 N--CA 1.465 0.306 0 O-C-N 120.955 -1.091 . . . . 10.0 113.872 -169.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.85 -24.66 3.71 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.958 1.303 . . . . 10.0 113.076 168.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -81.65 -7.83 59.64 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.553 1.316 . . . . 10.0 114.553 173.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -99.61 -11.46 20.94 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.806 1.642 . . . . 10.0 110.873 170.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.3 mt -95.22 128.23 46.57 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 127.846 2.458 . . . . 10.0 110.071 -177.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.5 t -73.14 -52.8 20.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 C-N-CA 123.801 0.841 . . . . 10.0 108.799 167.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -166.08 177.16 7.17 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.098 0.959 . . . . 10.0 111.991 171.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.3 pt -130.47 141.77 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 125.2 1.4 . . . . 10.0 110.585 171.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -114.27 119.22 36.27 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 108.379 -0.971 . . . . 10.0 108.379 169.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 43.5 mt -131.16 121.95 50.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 N-CA-C 107.89 -1.152 . . . . 10.0 107.89 174.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.1 m -119.61 118.09 30.06 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 107.666 -1.235 . . . . 10.0 107.666 177.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -115.46 117.9 57.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 125.911 1.684 . . . . 10.0 107.319 -177.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -117.64 138.84 51.7 Favored 'General case' 0 CA--C 1.523 -0.086 0 N-CA-C 108.581 -0.896 . . . . 10.0 108.581 -178.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.1 p -139.76 141.68 34.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 123.692 0.797 . . . . 10.0 109.228 172.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -143.56 153.9 43.04 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.357 1.463 . . . . 10.0 109.836 -169.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -131.35 99.73 4.94 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.864 0.866 . . . . 10.0 108.788 171.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.8 m -131.2 81.52 1.99 Allowed 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 107.57 -1.27 . . . . 10.0 107.57 177.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.9 t70 64.73 -45.43 0.32 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 128.516 2.727 . . . . 10.0 112.692 -167.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -98.36 146.84 25.29 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 127.463 2.305 . . . . 10.0 110.145 168.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.2 tt -85.39 120.13 26.52 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 106.902 -1.518 . . . . 10.0 106.902 167.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -134.12 148.94 51.05 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.376 0.67 . . . . 10.0 111.085 -175.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.1 p -136.29 148.26 27.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 125.631 1.572 . . . . 10.0 110.586 -173.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -130.85 141.62 50.33 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 125.226 1.41 . . . . 10.0 107.857 167.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.1 mt -130.32 109.7 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 N-CA-C 106.228 -1.768 . . . . 10.0 106.228 173.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.2 m -120.92 121.76 38.74 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 108.066 -1.087 . . . . 10.0 108.066 -178.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.45 155.13 47.88 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.937 0.895 . . . . 10.0 112.931 -175.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.41 146.39 32.47 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.32 1.848 . . . . 10.0 110.376 171.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 41.8 tp -128.05 104.3 7.7 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 126.038 1.735 . . . . 10.0 109.931 -173.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -93.03 102.74 15.08 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 108.793 -0.818 . . . . 10.0 108.793 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 42.6 mt -85.59 151.99 23.48 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.62 1.168 . . . . 10.0 110.895 171.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -58.9 147.06 35.39 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 112.747 0.647 . . . . 10.0 112.747 175.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -64.89 -9.83 24.03 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 114.561 1.319 . . . . 10.0 114.561 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.15 8.4 43.89 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.384 1.473 . . . . 10.0 112.844 171.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 27.5 t -112.95 151.22 30.8 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.818 1.247 . . . . 10.0 112.977 -174.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -146.03 94.91 2.54 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.503 1.921 . . . . 10.0 109.119 -172.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.8 -171.91 1.99 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.536 1.534 . . . . 10.0 112.076 175.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -85.37 144.11 40.12 Favored Pre-proline 0 CA--C 1.548 0.868 0 O-C-N 120.978 -1.077 . . . . 10.0 112.109 -168.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -74.25 45.76 1.25 Allowed 'Trans proline' 0 CA--C 1.548 1.206 1 C-N-CA 125.994 4.463 . . . . 10.0 114.135 -172.024 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.17 8.18 0.02 OUTLIER Glycine 0 CA--C 1.539 1.533 0 C-N-CA 126.932 2.206 . . . . 10.0 114.435 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.6 tt -59.3 -32.93 49.48 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 CA-C-N 118.945 1.372 . . . . 10.0 113.921 -170.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.5 p -86.11 -34.36 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 124.911 1.284 . . . . 10.0 113.055 172.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -58.74 -40.14 82.96 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 119.425 1.012 . . . . 10.0 110.572 174.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -63.78 -32.92 74.58 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 118.593 -0.717 . . . . 10.0 112.274 171.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.85 -44.49 80.87 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.979 1.263 . . . . 10.0 111.433 175.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 t -66.85 -45.06 88.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 CA-C-N 117.781 0.264 . . . . 10.0 110.436 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -58.64 -40.61 83.89 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.278 1.431 . . . . 10.0 112.031 173.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.94 -41.99 99.66 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.669 0.668 . . . . 10.0 111.333 174.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.27 -43.08 95.94 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 118.463 -0.779 . . . . 10.0 112.491 172.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -66.53 -43.76 84.3 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 119.672 1.123 . . . . 10.0 112.348 179.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 44.7 mtm180 -72.61 -30.3 64.24 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.478 -0.764 . . . . 10.0 112.666 176.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 46.7 t -63.06 -48.76 77.3 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 118.143 -0.932 . . . . 10.0 109.867 169.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 25.3 tp -58.06 -43.81 87.15 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.789 0.836 . . . . 10.0 112.469 176.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -60.94 -41.49 96.34 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 119.194 -0.431 . . . . 10.0 111.33 175.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.1 p -68.04 -31.73 71.59 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.969 0.729 . . . . 10.0 112.969 175.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -76.08 -42.13 48.32 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.387 1.075 . . . . 10.0 111.516 -176.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -73.2 -34.06 65.73 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 118.279 -0.867 . . . . 10.0 111.407 171.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -56.12 -42.69 77.25 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 119.376 0.989 . . . . 10.0 110.209 168.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -67.37 -5.03 33.5 Favored Glycine 0 CA--C 1.535 1.284 0 CA-C-O 119.034 -0.87 . . . . 10.0 114.588 175.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 22.2 m-30 -119.96 -22.85 6.57 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 114.383 1.253 . . . . 10.0 114.383 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 45.1 mtm180 -143.97 -20.38 0.57 Allowed 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 115.613 1.709 . . . . 10.0 115.613 -170.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 . . . . . 0 C--O 1.251 1.174 0 O-C-N 124.554 1.159 . . . . 10.0 110.746 -165.827 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ttt . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 108.332 -0.988 . . . . 10.0 108.332 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -129.53 16.45 5.94 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 124.464 1.102 . . . . 10.0 113.257 -169.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 91.0 mt -120.36 155.6 33.04 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 125.883 1.673 . . . . 10.0 111.111 178.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -71.22 176.04 4.84 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.132 1.373 . . . . 10.0 110.378 171.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.69 108.23 0.37 Allowed 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.745 -0.597 . . . . 10.0 109.952 168.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 77.1 mt -74.9 105.63 6.03 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 119.774 -1.829 . . . . 10.0 110.224 -173.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.0 t -140.2 -169.78 2.83 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.771 0.828 . . . . 10.0 110.457 175.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -41.06 -46.56 2.95 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 126.658 1.983 . . . . 10.0 113.659 -175.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.17 -49.75 50.73 Favored Glycine 0 CA--C 1.528 0.892 0 CA-C-O 121.846 0.692 . . . . 10.0 113.208 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -67.57 -35.42 78.98 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.796 1.639 . . . . 10.0 111.143 -177.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 mp -70.02 -40.42 75.22 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.314 1.446 . . . . 10.0 113.165 169.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -63.14 -39.68 95.38 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 119.591 1.087 . . . . 10.0 111.786 173.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -58.54 -44.06 89.49 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.228 0.922 . . . . 10.0 112.005 172.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.7 mt -65.85 -46.26 89.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 O-C-N 121.524 -0.735 . . . . 10.0 111.276 174.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.8 t -58.88 -42.78 90.31 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.556 0.742 . . . . 10.0 111.927 176.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.5 t -64.51 -43.91 92.59 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 125.234 1.413 . . . . 10.0 111.77 174.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.38 -42.59 92.03 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.949 0.795 . . . . 10.0 111.599 174.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.6 mt -65.76 -50.51 64.49 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.542 0.737 . . . . 10.0 111.914 176.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -57.64 -49.92 74.88 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 118.864 0.756 . . . . 10.0 111.597 177.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -61.82 -37.45 84.48 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 118.741 -0.647 . . . . 10.0 111.336 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.3 m -61.09 -46.41 90.75 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 118.92 0.782 . . . . 10.0 111.339 176.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 43.4 mt -63.71 -49.94 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-N 118.765 0.711 . . . . 10.0 110.742 174.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.2 m -61.81 -40.94 97.03 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.287 0.635 . . . . 10.0 112.378 -176.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -66.13 -38.66 88.7 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.739 0.7 . . . . 10.0 111.931 171.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -66.21 -38.26 87.53 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 119.415 1.007 . . . . 10.0 112.026 176.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.3 mt -61.48 -53.12 52.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 O-C-N 121.177 -0.952 . . . . 10.0 109.276 171.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -63.34 -32.89 74.43 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.655 0.983 . . . . 10.0 113.655 -178.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.67 -9.05 58.26 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 118.149 -0.929 . . . . 10.0 113.411 174.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 -110.33 -34.82 6.24 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.459 1.652 . . . . 10.0 115.459 171.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.0 t -141.5 134.16 29.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.532 1.533 . . . . 10.0 109.525 -176.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.1 t -71.79 136.65 47.17 Favored 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 123.738 0.815 . . . . 10.0 112.004 178.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.81 -24.69 3.68 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.409 1.084 . . . . 10.0 113.217 169.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -24.26 67.52 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 120.604 1.547 . . . . 10.0 113.904 172.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -87.55 -14.57 39.87 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.892 1.677 . . . . 10.0 111.859 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 86.5 mt -109.29 128.22 65.41 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 127.18 2.192 . . . . 10.0 109.314 -169.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.4 t -69.21 -50.35 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 O-C-N 121.682 -0.636 . . . . 10.0 110.088 169.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -163.71 176.19 9.83 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.295 0.85 . . . . 10.0 113.295 172.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.8 pt -133.09 143.13 40.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 C-N-CA 125.58 1.552 . . . . 10.0 110.443 169.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -123.67 126.85 47.32 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 107.664 -1.236 . . . . 10.0 107.664 169.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 51.9 mt -131.32 121.61 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 N-CA-C 107.709 -1.219 . . . . 10.0 107.709 -179.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.5 m -119.69 117.86 29.39 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 124.685 1.194 . . . . 10.0 108.026 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.3 t -115.53 127.21 73.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 N-CA-C 107.33 -1.359 . . . . 10.0 107.33 175.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.1 mp -117.66 139.06 51.53 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 124.978 1.311 . . . . 10.0 108.046 -175.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.3 p -139.68 137.34 39.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 C-N-CA 123.921 0.888 . . . . 10.0 109.74 176.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -148.46 156.91 43.08 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.295 1.438 . . . . 10.0 109.329 -176.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -138.12 104.9 5.35 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 107.479 -1.304 . . . . 10.0 107.479 174.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.412 ' C ' ' H ' ' A' ' 49' ' ' GLU . 9.7 t -131.21 80.86 1.96 Allowed 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.413 1.485 . . . . 10.0 108.19 -173.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.7 t70 64.64 -33.05 0.14 Allowed 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 127.63 2.372 . . . . 10.0 113.47 -167.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.412 ' H ' ' C ' ' A' ' 47' ' ' THR . 12.5 tt0 -123.78 158.66 31.24 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 128.355 2.662 . . . . 10.0 109.21 172.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 49.9 tp -85.18 129.16 34.86 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.457 1.103 . . . . 10.0 109.154 177.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -124.15 136.87 54.51 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 124.589 1.156 . . . . 10.0 109.889 178.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.0 p -136.31 141.28 41.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 C-N-CA 125.354 1.462 . . . . 10.0 108.512 173.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -140.92 146.33 37.27 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 123.979 0.912 . . . . 10.0 111.243 176.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 36.6 mt -132.43 120.03 41.22 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 C-N-CA 125.401 1.48 . . . . 10.0 109.456 -170.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.8 m -122.65 127.17 48.98 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.603 1.161 . . . . 10.0 108.725 169.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.32 138.28 49.15 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.313 0.645 . . . . 10.0 110.756 175.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -127.39 137.32 52.72 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 125.672 1.589 . . . . 10.0 109.782 -175.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -116.09 121.01 40.92 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 125.699 1.599 . . . . 10.0 107.448 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -113.52 102.68 10.53 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 107.394 -1.335 . . . . 10.0 107.394 173.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.5 mt -85.05 152.04 23.71 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 125.383 1.473 . . . . 10.0 111.242 -177.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.424 ' C ' ' H ' ' A' ' 63' ' ' LEU . 39.0 t0 -61.42 147.25 45.68 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.429 168.097 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -66.67 9.87 0.16 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.94 1.296 . . . . 10.0 114.234 -178.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.424 ' H ' ' C ' ' A' ' 61' ' ' ASP . 19.1 tp -127.83 6.88 6.12 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 128.287 2.635 . . . . 10.0 111.876 178.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.8 m -112.73 145.13 41.07 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.351 1.46 . . . . 10.0 112.046 -178.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -144.57 94.46 2.56 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.157 1.383 . . . . 10.0 110.636 -177.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.71 -168.29 2.19 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 125.881 1.672 . . . . 10.0 112.684 174.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -85.43 145.59 42.66 Favored Pre-proline 0 CA--C 1.546 0.809 0 O-C-N 121.092 -1.005 . . . . 10.0 110.269 -176.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -72.67 49.42 1.49 Allowed 'Trans proline' 0 CA--C 1.548 1.189 1 C-N-CA 125.82 4.347 . . . . 10.0 112.93 178.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.04 5.56 0.02 OUTLIER Glycine 0 CA--C 1.54 1.636 0 C-N-CA 127.605 2.526 . . . . 10.0 114.741 -175.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.3 tp -52.07 -39.94 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-N 119.881 1.841 . . . . 10.0 113.342 -174.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.5 p -86.29 -29.75 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 C-N-CA 125.434 1.494 . . . . 10.0 113.796 177.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -60.2 -44.5 95.07 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.112 0.565 . . . . 10.0 109.548 175.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -63.97 -38.1 89.84 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 118.363 -0.827 . . . . 10.0 112.459 171.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.26 -43.4 94.96 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 120.37 1.441 . . . . 10.0 111.769 178.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.3 t -68.46 -46.31 80.63 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 125.157 1.383 . . . . 10.0 111.168 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -58.64 -42.13 87.59 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.222 1.409 . . . . 10.0 112.169 170.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.97 -43.05 99.85 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.643 -0.661 . . . . 10.0 110.995 175.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.73 -42.69 99.3 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 118.437 -0.792 . . . . 10.0 112.395 172.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -66.31 -43.34 86.53 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.685 1.129 . . . . 10.0 112.84 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 45.4 mtm180 -72.84 -30.63 64.17 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 118.863 0.756 . . . . 10.0 112.399 177.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.0 t -65.42 -40.82 93.8 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 118.658 -0.687 . . . . 10.0 110.586 168.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 25.8 tp -63.64 -44.29 94.29 Favored 'General case' 0 C--N 1.342 0.265 0 CA-C-N 119.098 0.863 . . . . 10.0 112.704 174.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -59.46 -41.28 89.34 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.003 0.82 . . . . 10.0 111.102 174.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.6 m -67.83 -38.4 83.15 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.947 0.899 . . . . 10.0 112.191 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -66.26 -42.31 88.68 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.233 1.413 . . . . 10.0 111.067 173.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.5 tp -73.1 -34.21 66.05 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 121.617 -0.677 . . . . 10.0 111.958 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -56.18 -28.44 58.18 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.175 0.59 . . . . 10.0 111.116 168.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -77.95 -5.97 87.08 Favored Glycine 0 CA--C 1.535 1.306 0 CA-C-O 118.936 -0.924 . . . . 10.0 114.757 174.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -137.56 -14.83 1.44 Allowed 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 115.889 1.811 . . . . 10.0 115.889 -171.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.6 mtp85 -136.7 -28.56 0.98 Allowed 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 116.354 -1.784 . . . . 10.0 115.458 -177.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . 0.261 13.9 pt-20 . . . . . 0 C--O 1.256 1.442 0 CA-C-O 116.498 -1.715 . . . . 10.0 113.436 -169.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.48 1.046 0 N-CA-C 108.919 -0.771 . . . . 10.0 108.919 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 t -164.69 151.68 11.14 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.709 1.203 . . . . 10.0 109.618 176.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.1 pp -138.61 173.93 11.07 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.001 2.12 . . . . 10.0 110.489 178.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.8 -173.26 2.67 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.531 0.681 . . . . 10.0 110.269 -170.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -55.75 125.83 22.93 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 107.571 -1.27 . . . . 10.0 107.571 168.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.1 mt -74.74 105.78 5.97 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 122.321 1.058 . . . . 10.0 108.579 -177.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.0 t -148.82 -175.75 5.07 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 127.756 2.422 . . . . 10.0 107.719 -178.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -38.15 -48.61 1.27 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 126.342 1.857 . . . . 10.0 113.037 -174.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.63 -61.12 7.59 Favored Glycine 0 CA--C 1.535 1.334 0 CA-C-N 118.792 0.724 . . . . 10.0 114.442 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -70.13 -33.16 71.47 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.952 -0.734 . . . . 10.0 111.553 -177.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.8 mt -69.97 -42.33 73.27 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.595 0.758 . . . . 10.0 111.843 176.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -63.46 -45.3 91.49 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 119.237 0.926 . . . . 10.0 110.784 173.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -57.74 -43.62 85.49 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.719 0.808 . . . . 10.0 112.228 174.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.4 mt -64.97 -41.5 92.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 O-C-N 121.573 -0.704 . . . . 10.0 110.761 173.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.6 p -58.8 -39.9 82.49 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.645 1.111 . . . . 10.0 112.047 174.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.6 t -66.51 -43.88 84.07 Favored 'General case' 0 C--N 1.341 0.216 0 C-N-CA 124.431 1.092 . . . . 10.0 111.102 175.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -59.45 -42.55 92.22 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.513 0.597 . . . . 10.0 112.011 174.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.8 mt -64.43 -49.75 70.25 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.472 0.709 . . . . 10.0 111.972 175.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -59.74 -47.65 84.81 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 118.187 0.448 . . . . 10.0 111.56 178.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -62.35 -36.77 83.27 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 118.642 -0.694 . . . . 10.0 111.977 175.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.0 m -61.04 -44.98 96.59 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.809 1.186 . . . . 10.0 111.465 178.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 52.0 mt -68.27 -44.33 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 O-C-N 122.117 -0.364 . . . . 10.0 110.832 175.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.5 t -57.31 -50.91 71.44 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 119.174 -0.441 . . . . 10.0 111.204 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.28 -38.78 77.67 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 114.316 1.228 . . . . 10.0 114.316 173.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -64.47 -45.75 86.03 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.543 1.065 . . . . 10.0 110.591 177.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.3 mt -66.2 -53.17 39.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-O 118.7 -0.667 . . . . 10.0 109.363 178.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.01 -16.12 60.91 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.237 1.199 . . . . 10.0 114.237 -177.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -109.44 7.06 24.75 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.583 0.957 . . . . 10.0 113.583 174.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -124.23 -20.48 5.25 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.763 1.394 . . . . 10.0 114.763 169.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.6 p -141.93 140.25 30.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 125.963 1.705 . . . . 10.0 110.163 171.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.6 t -76.45 136.58 39.41 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 121.298 -0.876 . . . . 10.0 112.107 -175.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.83 -24.84 3.82 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.467 1.107 . . . . 10.0 113.586 169.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -72.98 -11.19 60.48 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.194 1.183 . . . . 10.0 114.194 173.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -97.08 -15.34 21.04 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.732 1.613 . . . . 10.0 111.752 173.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.4 mm -101.93 128.25 54.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 128.04 2.536 . . . . 10.0 110.393 -168.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.9 t -77.37 -51.23 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 N-CA-C 109.11 -0.7 . . . . 10.0 109.11 167.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -164.6 176.99 8.41 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.67 0.788 . . . . 10.0 112.999 171.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 15.8 pt -134.6 141.76 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 125.404 1.482 . . . . 10.0 110.261 169.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -127.83 108.12 10.45 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.883 0.873 . . . . 10.0 109.13 -176.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.8 mt -122.0 124.29 70.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 N-CA-C 108.98 -0.748 . . . . 10.0 108.98 -171.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.3 m -119.65 117.82 29.31 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 125.541 1.536 . . . . 10.0 108.168 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.2 m -115.55 119.98 63.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 126.573 1.949 . . . . 10.0 107.691 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 88.4 mt -117.72 137.01 52.98 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 124.448 1.099 . . . . 10.0 108.589 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.6 p -139.79 134.27 37.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 C-N-CA 123.461 0.704 . . . . 10.0 110.036 176.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -153.22 159.97 42.72 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.844 1.258 . . . . 10.0 110.132 -171.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -142.87 102.14 3.97 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.447 -0.783 . . . . 10.0 109.716 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.421 ' C ' ' H ' ' A' ' 49' ' ' GLU . 48.5 m -131.78 97.69 4.26 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 120.964 -1.085 . . . . 10.0 109.771 171.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 57.97 -24.75 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 127.842 2.457 . . . . 10.0 115.911 -169.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.421 ' H ' ' C ' ' A' ' 47' ' ' THR . 11.5 pt-20 -133.41 159.69 39.58 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 127.453 2.301 . . . . 10.0 110.026 168.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.6 tt -85.38 128.42 34.71 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.672 1.189 . . . . 10.0 108.489 179.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -117.36 126.77 53.23 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 124.6 1.16 . . . . 10.0 108.743 175.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.3 p -136.16 123.48 33.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 106.5 -1.667 . . . . 10.0 106.5 169.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -139.77 132.6 29.17 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.773 -0.825 . . . . 10.0 108.773 -167.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 21.3 mt -132.1 127.08 57.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 C-N-CA 123.672 0.789 . . . . 10.0 109.45 -168.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.4 m -127.31 131.11 50.52 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 125.242 1.417 . . . . 10.0 108.508 174.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.19 138.38 49.38 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.46 0.704 . . . . 10.0 110.144 177.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.32 145.14 48.19 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 126.076 1.75 . . . . 10.0 109.945 177.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 64.3 tp -128.16 109.14 11.23 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 114.551 -1.204 . . . . 10.0 109.936 -169.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -108.0 102.7 11.85 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 122.511 1.148 . . . . 10.0 108.707 178.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 27.1 mt -88.5 152.05 22.13 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 126.986 2.114 . . . . 10.0 110.475 175.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -60.23 147.29 40.57 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 120.856 -0.338 . . . . 10.0 111.432 169.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -68.25 38.76 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 128.555 2.742 . . . . 10.0 112.99 -178.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 50.9 tp -160.56 -27.88 0.06 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 128.52 2.728 . . . . 10.0 112.099 -169.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 25.9 m -74.28 153.75 39.24 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.29 1.436 . . . . 10.0 112.965 -178.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -141.09 94.41 2.7 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 123.034 1.397 . . . . 10.0 110.344 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.15 -167.97 1.67 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.324 1.85 . . . . 10.0 112.204 176.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -85.41 144.44 40.52 Favored Pre-proline 0 CA--C 1.544 0.726 0 O-C-N 120.948 -1.095 . . . . 10.0 110.09 -175.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -72.68 42.17 0.57 Allowed 'Trans proline' 0 CA--C 1.549 1.237 1 C-N-CA 125.555 4.17 . . . . 10.0 113.619 -179.423 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.09 12.68 0.02 OUTLIER Glycine 0 CA--C 1.539 1.54 0 C-N-CA 126.759 2.123 . . . . 10.0 114.234 177.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 9.3 tt -60.16 -33.88 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-N 119.078 1.439 . . . . 10.0 114.198 -168.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.3 p -86.14 -39.0 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 C-N-CA 124.281 1.032 . . . . 10.0 112.046 174.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -55.27 -46.17 76.14 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.753 1.221 . . . . 10.0 110.846 175.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -63.97 -33.33 75.49 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.039 0.936 . . . . 10.0 112.517 171.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.97 -42.52 89.78 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.883 1.219 . . . . 10.0 111.715 173.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.6 t -68.29 -43.82 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 118.243 0.474 . . . . 10.0 110.576 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -58.74 -41.62 86.9 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.651 1.18 . . . . 10.0 111.55 172.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.96 -39.61 95.2 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.619 -0.676 . . . . 10.0 111.631 173.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.24 -44.03 93.07 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.191 0.905 . . . . 10.0 112.391 171.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -64.03 -43.46 95.5 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 119.354 0.979 . . . . 10.0 112.458 178.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 45.6 mtm105 -72.39 -30.22 64.47 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.519 0.6 . . . . 10.0 112.607 175.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.7 m -64.47 -43.4 94.3 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 118.694 -0.669 . . . . 10.0 110.616 169.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.37 -45.58 87.11 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.113 0.965 . . . . 10.0 112.021 177.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -58.88 -41.26 86.68 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.945 0.898 . . . . 10.0 111.103 175.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.7 m -69.67 -35.47 75.18 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.921 0.888 . . . . 10.0 112.239 174.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -68.54 -42.53 78.31 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 117.924 -1.036 . . . . 10.0 111.525 -176.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -73.22 -34.17 65.75 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 120.604 1.547 . . . . 10.0 111.614 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -57.05 -43.96 82.5 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 109.299 -0.63 . . . . 10.0 109.299 167.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -72.24 -1.04 48.74 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 124.827 1.203 . . . . 10.0 115.244 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -127.86 -17.85 4.37 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.035 1.417 . . . . 10.0 114.272 178.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 64.6 mtm180 -143.87 -16.88 0.6 Allowed 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 115.746 1.758 . . . . 10.0 115.746 -173.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 . . . . . 0 C--O 1.256 1.422 0 CA-C-O 116.342 -1.79 . . . . 10.0 111.056 -167.14 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ptt? . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 118.51 -0.757 . . . . 10.0 109.952 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.7 t -171.94 -60.05 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.346 1.458 . . . . 10.0 108.112 169.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.0 mp -73.8 172.67 11.09 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.278 1.031 . . . . 10.0 109.62 166.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -102.58 -155.74 0.53 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.918 1.687 . . . . 10.0 108.475 -177.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.27 124.96 14.48 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.502 -0.748 . . . . 10.0 109.342 168.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 51.9 mt -74.77 107.88 7.15 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 108.505 -0.924 . . . . 10.0 108.505 -173.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.4 t -147.31 -171.56 3.82 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 124.607 1.163 . . . . 10.0 111.946 -167.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -62.72 44.32 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 130.371 3.468 . . . . 10.0 113.19 172.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.4 -58.48 0.02 OUTLIER Glycine 0 CA--C 1.528 0.848 0 C-N-CA 126.754 2.121 . . . . 10.0 110.154 171.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -61.57 -42.82 99.41 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.73 0.812 . . . . 10.0 112.456 176.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 98.0 mt -70.27 -36.65 74.55 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.459 -0.776 . . . . 10.0 112.364 175.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -64.33 -39.53 94.09 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.328 1.051 . . . . 10.0 111.867 174.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -60.71 -42.03 96.45 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.585 1.154 . . . . 10.0 111.591 170.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.5 mt -64.73 -43.49 96.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 CA-C-N 118.745 0.702 . . . . 10.0 110.229 172.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.5 p -58.85 -37.6 76.86 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.435 1.016 . . . . 10.0 111.734 176.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.4 m -69.59 -43.85 71.96 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.864 1.266 . . . . 10.0 110.699 177.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -60.88 -41.34 95.78 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.256 1.023 . . . . 10.0 112.144 173.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.4 mt -64.01 -49.67 71.53 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.991 0.917 . . . . 10.0 111.866 174.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -55.77 -50.0 71.62 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-N 119.363 0.983 . . . . 10.0 111.417 174.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -63.15 -37.94 89.19 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 119.497 -0.287 . . . . 10.0 110.439 -176.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 80.5 m -61.39 -46.98 87.92 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.909 0.883 . . . . 10.0 111.916 175.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 77.5 mt -67.82 -47.72 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 CA-C-N 118.509 0.595 . . . . 10.0 110.688 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.8 m -59.63 -45.51 91.74 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.248 0.619 . . . . 10.0 111.243 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.8 -38.81 89.52 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 114.296 1.221 . . . . 10.0 114.296 169.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -62.02 -45.54 93.14 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 120.61 1.55 . . . . 10.0 110.829 177.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 91.4 mt -61.38 -52.94 55.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 C-N-CA 123.725 0.81 . . . . 10.0 109.591 175.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.1 mp -64.29 -14.24 54.68 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 114.304 1.224 . . . . 10.0 114.304 179.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -100.24 -1.42 36.45 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.874 1.27 . . . . 10.0 112.931 174.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -118.84 -15.86 9.35 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.348 1.24 . . . . 10.0 114.348 168.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.3 t -144.98 141.02 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 126.001 1.72 . . . . 10.0 108.757 -174.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.7 t -75.58 135.39 40.54 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.942 1.09 . . . . 10.0 113.942 -171.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.71 -24.7 3.57 Favored 'General case' 0 CA--C 1.55 0.95 0 O-C-N 120.484 -1.385 . . . . 10.0 113.358 167.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -75.67 -21.64 57.46 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.62 1.341 . . . . 10.0 114.62 173.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -110.41 -16.81 13.61 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 119.578 1.081 . . . . 10.0 112.638 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.1 mm -70.94 113.67 7.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 107.055 -1.461 . . . . 10.0 107.055 167.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.5 t -71.54 -49.99 42.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 N-CA-C 108.681 -0.859 . . . . 10.0 108.681 168.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -164.93 177.04 8.14 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.612 0.765 . . . . 10.0 112.2 171.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -134.82 140.07 46.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 C-N-CA 125.269 1.428 . . . . 10.0 109.479 168.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -120.35 110.35 16.44 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.122 -1.066 . . . . 10.0 108.122 -177.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 33.1 mt -128.17 122.02 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 123.753 0.821 . . . . 10.0 108.904 -171.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.6 m -115.58 117.71 31.07 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 125.626 1.57 . . . . 10.0 107.365 178.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -115.54 117.74 56.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 125.393 1.477 . . . . 10.0 107.466 178.01 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.94 139.07 51.68 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.719 1.208 . . . . 10.0 109.568 -177.078 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.1 p -139.82 140.8 35.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 123.034 0.534 . . . . 10.0 110.955 -178.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -150.5 160.03 44.07 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.047 0.939 . . . . 10.0 112.068 179.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -131.74 105.35 7.44 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 108.467 -0.938 . . . . 10.0 108.467 169.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.44 ' C ' ' H ' ' A' ' 49' ' ' GLU . 5.0 p -131.02 80.66 1.95 Allowed 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.357 1.463 . . . . 10.0 107.13 -173.03 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.5 t70 62.79 -27.1 0.07 Allowed 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 127.339 2.255 . . . . 10.0 113.966 -167.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.44 ' H ' ' C ' ' A' ' 47' ' ' THR . 37.7 tt0 -134.76 159.96 39.69 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 128.585 2.754 . . . . 10.0 109.574 172.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 35.0 tp -85.0 129.12 34.85 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.401 1.08 . . . . 10.0 109.135 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.1 tptp -132.19 146.2 51.86 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 122.43 1.11 . . . . 10.0 110.157 172.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.9 p -135.2 147.32 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 125.966 1.707 . . . . 10.0 107.807 174.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -123.11 142.92 50.36 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 125.241 1.416 . . . . 10.0 108.267 169.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.2 mt -131.05 108.81 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 N-CA-C 105.253 -2.129 . . . . 10.0 105.253 175.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.6 m -124.49 121.66 35.46 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 107.239 -1.393 . . . . 10.0 107.239 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.5 150.26 52.22 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.766 0.826 . . . . 10.0 112.32 -173.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -140.94 143.57 34.63 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.829 2.051 . . . . 10.0 109.331 -178.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 36.4 tp -128.29 121.87 30.3 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.471 1.508 . . . . 10.0 111.695 -169.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -114.1 107.12 15.22 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 121.447 0.641 . . . . 10.0 112.198 178.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -82.25 151.94 26.59 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 126.239 1.816 . . . . 10.0 111.546 168.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.463 ' C ' ' H ' ' A' ' 63' ' ' LEU . 25.8 t0 -61.48 147.18 46.13 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.299 0.64 . . . . 10.0 110.72 167.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -66.99 17.19 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.121 1.769 . . . . 10.0 113.877 -179.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.463 ' H ' ' C ' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -133.59 5.27 3.69 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 128.299 2.64 . . . . 10.0 112.456 -177.478 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.3 t -131.99 169.01 16.93 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.337 1.055 . . . . 10.0 112.132 172.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -153.72 94.77 1.81 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.224 1.81 . . . . 10.0 109.085 -172.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.9 -177.04 5.77 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.892 1.277 . . . . 10.0 112.538 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -85.43 134.44 40.3 Favored Pre-proline 0 CA--C 1.547 0.863 0 O-C-N 120.615 -1.303 . . . . 10.0 110.517 -173.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -74.53 63.34 5.54 Favored 'Trans proline' 0 CA--C 1.542 0.901 1 C-N-CA 125.399 4.066 . . . . 10.0 113.201 -169.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.09 -8.43 0.03 OUTLIER Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.74 1.162 . . . . 10.0 115.589 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 73.3 mt -56.07 -30.92 30.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 120.03 1.915 . . . . 10.0 113.697 -175.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 70.4 t -64.95 -54.68 26.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 CA-C-N 118.987 0.812 . . . . 10.0 111.187 172.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -58.12 -41.49 83.75 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.42 1.088 . . . . 10.0 110.761 177.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -63.88 -40.33 96.28 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 118.73 -0.652 . . . . 10.0 112.024 172.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.37 -41.62 84.78 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.649 1.113 . . . . 10.0 111.1 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.74 -46.99 87.52 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 C-N-CA 125.066 1.346 . . . . 10.0 110.875 176.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -58.69 -42.15 87.9 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.672 1.589 . . . . 10.0 112.302 171.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.16 -42.11 96.87 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.51 -0.744 . . . . 10.0 111.302 175.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.35 -39.6 94.99 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 118.312 -0.852 . . . . 10.0 112.403 172.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -63.88 -43.42 96.09 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 119.65 1.114 . . . . 10.0 112.011 173.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 74.5 mtt-85 -63.95 -44.06 93.92 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 120.753 -1.217 . . . . 10.0 110.562 176.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.8 t -68.25 -16.71 64.07 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 117.144 -1.408 . . . . 10.0 114.43 175.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 39.6 tp -87.28 -47.13 9.08 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 120.191 1.36 . . . . 10.0 111.807 169.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.31 -41.23 77.03 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 118.948 -0.549 . . . . 10.0 110.552 -175.036 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.8 m -69.39 -18.33 63.75 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.464 0.912 . . . . 10.0 113.464 172.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -80.99 -42.1 21.71 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.295 1.438 . . . . 10.0 110.526 174.166 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.75 -34.69 77.32 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 120.87 -1.144 . . . . 10.0 112.042 172.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -70.16 2.89 3.2 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 127.771 2.428 . . . . 10.0 112.958 170.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -125.81 -5.57 6.32 Favored Glycine 0 CA--C 1.531 1.054 0 CA-C-O 118.736 -1.036 . . . . 10.0 114.37 173.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -128.91 -17.05 4.02 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.012 1.406 . . . . 10.0 114.657 -175.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -140.64 -46.72 0.41 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.465 1.106 . . . . 10.0 113.714 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 . . . . . 0 C--O 1.251 1.134 0 CA-C-O 116.083 -1.913 . . . . 10.0 111.44 -169.273 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.796 0 N-CA-C 108.517 -0.919 . . . . 10.0 108.517 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t 56.98 -178.43 0.05 Allowed 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.545 1.538 . . . . 10.0 113.662 -168.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -132.98 -170.49 2.47 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.44 1.896 . . . . 10.0 111.734 -173.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 53.0 ttt85 -109.89 159.7 17.01 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.666 1.187 . . . . 10.0 110.131 -174.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.75 105.12 0.11 Allowed 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.569 1.148 . . . . 10.0 110.722 174.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 69.8 mt -74.79 112.5 11.06 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 109.639 -0.504 . . . . 10.0 109.639 -172.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.1 t -147.0 -173.57 4.27 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.801 1.24 . . . . 10.0 109.396 174.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -47.63 -39.89 18.16 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.326 1.45 . . . . 10.0 113.36 -172.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.89 -53.47 37.31 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 123.809 0.719 . . . . 10.0 113.28 176.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -65.28 -39.41 92.55 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.197 1.399 . . . . 10.0 111.758 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.21 -39.49 89.66 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.986 0.914 . . . . 10.0 113.254 171.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -65.17 -42.38 93.75 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 119.468 1.031 . . . . 10.0 111.43 171.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -62.29 -41.99 98.97 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.489 1.04 . . . . 10.0 111.964 175.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 52.5 mt -64.79 -43.61 96.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 O-C-N 121.153 -0.967 . . . . 10.0 110.463 174.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.3 m -63.62 -41.59 98.26 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.413 0.685 . . . . 10.0 111.223 178.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.0 t -62.1 -43.93 97.77 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.995 1.718 . . . . 10.0 111.734 172.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -61.17 -40.7 94.87 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.076 0.95 . . . . 10.0 112.137 175.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.8 mt -65.37 -51.29 61.42 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 123.125 0.57 . . . . 10.0 111.54 173.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.9 t-160 -57.9 -47.97 81.25 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.211 0.604 . . . . 10.0 111.595 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -63.89 -35.56 81.07 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 118.14 -0.933 . . . . 10.0 112.104 175.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.0 m -61.09 -47.13 87.73 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.915 1.234 . . . . 10.0 111.284 174.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.8 mt -65.14 -46.06 92.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-N 118.48 0.582 . . . . 10.0 110.229 177.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.9 t -57.62 -48.36 79.65 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.175 0.59 . . . . 10.0 111.626 178.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -63.16 -38.88 92.9 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.781 -0.575 . . . . 10.0 112.242 175.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -62.49 -45.65 92.03 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 119.338 0.972 . . . . 10.0 110.734 176.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.9 mt -61.48 -52.97 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-O 118.059 -0.972 . . . . 10.0 109.477 176.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.64 -28.52 68.62 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.692 1.133 . . . . 10.0 113.691 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -82.77 -5.7 59.05 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.046 1.128 . . . . 10.0 114.046 172.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -128.1 -29.95 2.48 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 115.325 1.602 . . . . 10.0 115.325 -174.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.6 t -137.25 144.42 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 126.597 1.959 . . . . 10.0 109.448 178.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 45.7 t -85.51 136.58 33.36 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 115.422 1.638 . . . . 10.0 115.422 -168.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.95 -24.46 3.67 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 120.617 -1.302 . . . . 10.0 113.262 167.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -77.46 -5.24 49.19 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.888 1.44 . . . . 10.0 114.888 175.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -128.88 -22.99 3.15 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.701 1.601 . . . . 10.0 112.554 177.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.1 mm -70.85 112.16 5.41 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 N-CA-C 106.763 -1.569 . . . . 10.0 106.763 168.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.6 t -68.91 -47.76 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 C-N-CA 124.03 0.932 . . . . 10.0 109.418 171.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -161.24 174.56 13.42 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 121.523 0.677 . . . . 10.0 112.599 169.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.7 pt -136.23 138.56 46.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 C-N-CA 125.004 1.321 . . . . 10.0 110.191 169.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -122.74 120.53 33.91 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 107.698 -1.223 . . . . 10.0 107.698 176.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 59.2 mt -131.16 117.52 37.27 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.145 0 N-CA-C 108.095 -1.076 . . . . 10.0 108.095 -174.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 89.9 m -119.7 117.65 28.84 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 125.023 1.329 . . . . 10.0 107.6 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 m -115.68 130.17 70.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 125.863 1.665 . . . . 10.0 108.691 -178.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -117.69 139.01 51.61 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 124.66 1.184 . . . . 10.0 108.796 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.0 p -139.72 133.21 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 C-N-CA 124.194 0.998 . . . . 10.0 109.148 174.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -150.3 159.34 44.52 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.105 1.362 . . . . 10.0 109.806 -170.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -145.5 100.36 3.43 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 108.315 -0.994 . . . . 10.0 108.315 176.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 99.6 m -131.14 80.97 1.96 Allowed 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.025 1.73 . . . . 10.0 107.392 -172.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.2 t70 66.14 -47.44 0.42 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 127.514 2.325 . . . . 10.0 112.06 -167.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.474 ' CD ' ' HZ3' ' A' ' 51' ' ' LYS . 5.2 pt-20 -98.41 157.54 16.14 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.807 1.643 . . . . 10.0 110.702 167.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.1 tp -85.35 129.09 34.89 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 108.112 -1.07 . . . . 10.0 108.112 168.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.474 ' HZ3' ' CD ' ' A' ' 49' ' ' GLU . 1.9 tppp? -128.65 137.5 51.68 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.55 0.69 . . . . 10.0 110.655 179.076 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.1 p -136.11 138.93 46.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 C-N-CA 125.273 1.429 . . . . 10.0 107.8 170.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -140.13 146.13 38.44 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.993 0.917 . . . . 10.0 111.187 179.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.5 mt -132.3 122.17 47.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 C-N-CA 124.76 1.224 . . . . 10.0 109.717 -168.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.0 m -124.65 125.57 44.34 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 124.309 1.044 . . . . 10.0 109.124 171.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.25 145.17 51.79 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.908 0.883 . . . . 10.0 110.965 177.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -131.06 142.7 50.32 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 125.566 1.546 . . . . 10.0 110.102 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -120.28 107.11 12.57 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 126.096 1.758 . . . . 10.0 107.776 -176.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -100.03 112.84 25.13 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 107.847 -1.168 . . . . 10.0 107.847 175.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 23.6 mt -112.94 151.94 29.94 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 126.54 1.936 . . . . 10.0 110.553 -173.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.48 ' C ' ' H ' ' A' ' 63' ' ' LEU . 46.4 t0 -66.3 147.2 53.66 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.435 -0.348 . . . . 10.0 111.069 176.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -69.23 24.79 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.238 1.815 . . . . 10.0 113.302 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.48 ' H ' ' C ' ' A' ' 61' ' ' ASP . 96.6 mt -139.89 7.47 2.27 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 128.998 2.919 . . . . 10.0 111.847 -175.171 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.7 t -134.22 163.24 30.05 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.922 0.889 . . . . 10.0 112.772 172.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -145.09 94.68 2.56 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 127.257 2.223 . . . . 10.0 108.867 -172.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.02 -178.4 6.09 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.55 1.14 . . . . 10.0 112.313 172.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -85.33 144.99 41.59 Favored Pre-proline 0 CA--C 1.548 0.891 0 O-C-N 120.897 -1.127 . . . . 10.0 111.548 -169.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -74.29 47.72 1.64 Allowed 'Trans proline' 0 CA--C 1.547 1.137 1 C-N-CA 126.033 4.489 . . . . 10.0 114.065 -171.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.01 8.87 0.02 OUTLIER Glycine 0 CA--C 1.538 1.514 0 C-N-CA 127.132 2.301 . . . . 10.0 114.467 176.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -64.16 -27.3 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-N 119.7 1.75 . . . . 10.0 113.599 -169.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.5 t -70.77 -53.76 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 125.488 1.515 . . . . 10.0 109.895 173.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.99 -45.08 79.09 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 126.848 2.059 . . . . 10.0 110.438 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -64.56 -35.41 80.9 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 118.467 -0.778 . . . . 10.0 112.717 172.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.21 -42.06 80.39 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 120.162 1.346 . . . . 10.0 111.298 176.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 40.3 t -67.69 -45.2 85.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 125.626 1.57 . . . . 10.0 111.069 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -58.55 -42.86 88.85 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.915 1.686 . . . . 10.0 111.425 170.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.95 -41.4 99.5 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 118.45 0.568 . . . . 10.0 111.085 175.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.78 -39.8 95.13 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 118.902 0.774 . . . . 10.0 113.081 171.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -62.1 -43.13 99.51 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.508 1.049 . . . . 10.0 112.333 173.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 46.2 mtt-85 -66.88 -36.36 82.11 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.168 0.895 . . . . 10.0 111.77 173.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.4 t -63.0 -35.42 80.14 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.107 0.963 . . . . 10.0 111.123 174.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -63.77 -43.98 94.77 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.964 0.906 . . . . 10.0 112.103 172.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -62.31 -41.39 98.48 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 118.632 0.651 . . . . 10.0 111.149 174.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 73.0 m -65.07 -32.39 74.08 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.727 0.811 . . . . 10.0 112.718 174.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -66.93 -42.37 85.44 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.279 -0.888 . . . . 10.0 111.402 175.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -71.84 -34.14 69.03 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 119.226 0.921 . . . . 10.0 111.799 175.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -60.29 -36.54 78.09 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 118.854 0.752 . . . . 10.0 110.637 168.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -73.79 1.87 43.91 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 125.053 1.311 . . . . 10.0 114.626 176.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -127.96 -64.42 0.96 Allowed 'General case' 0 C--N 1.339 0.147 0 CA-C-N 118.397 1.099 . . . . 10.0 111.46 175.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 71.2 mtm180 -64.26 -42.08 96.64 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 117.6 -1.191 . . . . 10.0 112.629 -172.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . 0.263 12.9 pt-20 . . . . . 0 C--O 1.253 1.282 0 O-C-N 126.189 2.181 . . . . 10.0 113.64 -169.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ttt . . . . . 0 N--CA 1.483 1.221 0 CA-C-O 118.451 -0.785 . . . . 10.0 109.381 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.4 m -55.27 103.92 0.11 Allowed 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.492 1.117 . . . . 10.0 112.998 176.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 mt -82.47 -175.3 5.65 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.865 1.666 . . . . 10.0 111.827 171.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.3 mtt85 -92.33 -162.33 0.92 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.357 1.063 . . . . 10.0 109.59 178.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.32 117.58 6.31 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 107.149 -1.426 . . . . 10.0 107.149 167.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 77.2 mt -74.32 105.99 5.74 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 122.602 1.191 . . . . 10.0 107.911 -169.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.7 p -144.87 178.38 8.06 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 127.647 2.379 . . . . 10.0 108.509 -167.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -48.01 -38.1 16.3 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.225 1.01 . . . . 10.0 113.664 -175.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.61 -63.03 5.17 Favored Glycine 0 CA--C 1.529 0.964 0 C-N-CA 123.804 0.716 . . . . 10.0 112.747 173.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.98 -37.5 74.33 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 117.463 0.631 . . . . 10.0 112.229 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.41 -39.85 85.54 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.588 1.329 . . . . 10.0 114.588 172.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -68.36 -37.82 80.83 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 120.025 1.284 . . . . 10.0 111.857 172.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -68.71 -38.69 80.44 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.009 0.924 . . . . 10.0 112.176 175.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.1 mt -64.78 -48.1 85.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 119.224 0.92 . . . . 10.0 109.349 170.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.2 m -58.94 -41.02 86.4 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.416 -0.802 . . . . 10.0 111.205 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.1 m -63.6 -43.7 96.15 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.167 1.387 . . . . 10.0 112.39 172.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -59.43 -42.59 92.24 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 118.987 0.812 . . . . 10.0 112.2 176.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -72.07 -39.03 69.31 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 117.877 -1.059 . . . . 10.0 112.552 177.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -56.28 -50.08 72.41 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 119.712 1.142 . . . . 10.0 111.292 169.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -64.62 -35.29 80.55 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 118.739 -0.648 . . . . 10.0 111.356 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.7 m -61.12 -47.26 87.1 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.21 0.914 . . . . 10.0 111.727 176.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 52.1 mt -69.31 -46.98 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 CA-C-N 118.547 0.612 . . . . 10.0 110.418 176.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.0 m -59.84 -43.91 94.38 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 118.356 0.525 . . . . 10.0 111.972 -179.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -65.86 -38.77 89.71 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 118.584 -0.722 . . . . 10.0 111.864 173.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -61.83 -45.91 91.76 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-N 119.672 1.124 . . . . 10.0 110.113 175.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.8 mt -61.29 -52.95 55.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-O 118.166 -0.921 . . . . 10.0 109.568 177.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.4 mp -62.19 -18.05 59.9 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.394 1.257 . . . . 10.0 114.394 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -99.71 0.56 42.07 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.539 1.136 . . . . 10.0 113.348 172.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.4 tpt85 -124.61 -26.57 3.82 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.811 1.244 . . . . 10.0 113.523 -176.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.2 t -143.21 145.84 22.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 127.727 2.411 . . . . 10.0 108.278 173.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.5 t -80.53 132.33 35.66 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 120.499 -1.376 . . . . 10.0 112.057 -175.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.26 -24.94 4.94 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.707 1.203 . . . . 10.0 113.333 168.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -70.68 -12.8 61.78 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.733 1.012 . . . . 10.0 113.733 174.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -97.99 -14.3 20.64 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.432 1.493 . . . . 10.0 111.986 172.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 69.3 mt -94.67 126.03 47.18 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 124.879 1.272 . . . . 10.0 109.696 -168.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.0 t -72.12 -52.4 24.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 C-N-CA 124.471 1.108 . . . . 10.0 108.69 169.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -162.12 174.12 13.39 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.624 0.77 . . . . 10.0 112.777 169.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.4 pt -133.11 133.04 58.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 C-N-CA 125.609 1.564 . . . . 10.0 109.542 171.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -117.67 107.18 13.9 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 108.697 -0.853 . . . . 10.0 108.697 -174.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 74.0 mt -131.02 117.59 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 123.493 0.717 . . . . 10.0 109.175 -172.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 96.7 m -119.91 129.82 54.53 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 125.531 1.532 . . . . 10.0 109.418 177.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.7 t -115.77 136.1 53.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 C-N-CA 124.534 1.134 . . . . 10.0 108.687 174.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -117.66 135.9 53.69 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.086 1.355 . . . . 10.0 108.277 174.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.6 p -139.96 130.94 31.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 123.625 0.77 . . . . 10.0 110.203 173.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -141.91 160.05 40.98 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.769 1.228 . . . . 10.0 111.223 -173.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -135.92 108.43 7.41 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 107.941 -1.133 . . . . 10.0 107.941 171.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 95.1 m -131.66 86.64 2.37 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.006 -1.059 . . . . 10.0 109.23 174.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.6 t70 65.0 -35.12 0.18 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 127.172 2.189 . . . . 10.0 113.434 -168.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -122.96 156.62 34.38 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.678 1.991 . . . . 10.0 110.04 168.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 tt -85.43 128.98 34.91 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.058 1.343 . . . . 10.0 109.068 176.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -128.04 139.98 52.23 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.797 1.239 . . . . 10.0 110.072 177.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 11.5 p -136.4 140.63 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 124.682 1.193 . . . . 10.0 109.917 174.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -141.03 146.24 36.95 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.581 1.552 . . . . 10.0 110.793 -173.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.6 mm -130.73 131.19 64.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 125.193 1.397 . . . . 10.0 108.617 -170.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.0 t -131.58 122.15 25.59 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.572 1.149 . . . . 10.0 109.409 169.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.28 143.93 50.91 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.02 0.928 . . . . 10.0 112.072 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.12 147.37 41.84 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 126.046 1.739 . . . . 10.0 111.221 177.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 59.5 tp -128.12 118.31 23.19 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 124.97 1.308 . . . . 10.0 110.678 -175.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -114.15 103.03 10.71 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 122.119 0.962 . . . . 10.0 109.854 178.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 42.9 mt -89.35 152.26 21.62 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 126.992 2.117 . . . . 10.0 111.492 176.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.497 ' C ' ' H ' ' A' ' 63' ' ' LEU . 37.5 t0 -62.56 147.51 48.86 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.276 170.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -64.95 18.95 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 127.773 2.429 . . . . 10.0 113.53 -178.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.497 ' H ' ' C ' ' A' ' 61' ' ' ASP . 97.3 mt -138.63 7.25 2.53 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 128.733 2.813 . . . . 10.0 112.306 -173.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.3 t -125.88 156.43 39.65 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.903 0.881 . . . . 10.0 111.682 169.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -140.59 94.64 2.75 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 126.905 2.082 . . . . 10.0 108.118 -174.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.86 178.51 7.27 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.704 1.201 . . . . 10.0 111.819 173.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -85.42 145.01 41.4 Favored Pre-proline 0 CA--C 1.546 0.814 0 O-C-N 120.881 -1.137 . . . . 10.0 112.05 -169.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -73.07 61.45 3.96 Favored 'Trans proline' 0 CA--C 1.543 0.933 1 C-N-CA 125.863 4.376 . . . . 10.0 112.79 -173.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 166.86 -10.3 0.06 OUTLIER Glycine 0 CA--C 1.536 1.401 0 C-N-CA 126.645 2.069 . . . . 10.0 114.034 -175.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.2 tt -57.98 -26.03 27.59 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 CA-C-N 119.431 1.615 . . . . 10.0 114.54 -173.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 96.9 t -76.85 -53.65 14.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 125.387 1.475 . . . . 10.0 110.477 171.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -53.11 -36.15 60.44 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.13 1.372 . . . . 10.0 111.721 177.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -63.65 -37.28 86.73 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 122.975 0.51 . . . . 10.0 111.625 171.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.23 -42.2 75.99 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 119.122 0.874 . . . . 10.0 111.006 178.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.5 t -70.36 -42.99 78.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-O 118.927 -0.559 . . . . 10.0 110.625 179.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -58.7 -42.07 87.78 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.283 1.433 . . . . 10.0 111.738 171.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.92 -41.87 99.61 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 118.82 -0.61 . . . . 10.0 111.246 174.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.5 -45.17 88.43 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.208 0.913 . . . . 10.0 112.704 173.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -63.4 -43.66 96.89 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.305 0.957 . . . . 10.0 111.696 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -72.39 -37.26 68.75 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.108 0.963 . . . . 10.0 112.6 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.9 t -63.11 -43.69 97.73 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 119.153 -0.451 . . . . 10.0 110.165 172.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.5 tp -64.47 -47.12 80.17 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 118.115 0.416 . . . . 10.0 112.071 176.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -59.56 -41.53 90.35 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 119.197 -0.43 . . . . 10.0 111.383 177.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.4 t -72.22 -22.45 61.26 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 113.272 0.841 . . . . 10.0 113.272 175.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -80.98 -41.9 22.05 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.835 1.254 . . . . 10.0 112.907 178.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.82 -34.2 77.8 Favored 'General case' 0 C--N 1.35 0.594 0 CA-C-N 118.856 0.753 . . . . 10.0 110.84 169.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -71.94 8.8 1.1 Allowed 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 126.299 1.84 . . . . 10.0 113.306 169.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -134.41 41.74 1.43 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.039 -1.224 . . . . 10.0 110.039 168.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -167.41 -55.37 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.064 1.346 . . . . 10.0 113.358 -171.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 29.2 mtm105 -95.21 -11.93 27.2 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.616 0.766 . . . . 10.0 112.195 177.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 . . . . . 0 C--O 1.25 1.11 1 C-N-CA 132.616 4.366 . . . . 10.0 104.803 167.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.5 mtm . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 118.217 -0.897 . . . . 10.0 109.146 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.7 t 53.39 74.79 0.29 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.522 1.129 . . . . 10.0 113.163 175.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 62.3 mt -49.43 152.89 1.2 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.178 1.391 . . . . 10.0 114.43 -174.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 89.5 mtt-85 -137.32 -168.57 2.33 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 126.677 1.991 . . . . 10.0 109.951 -169.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.83 112.08 0.87 Allowed 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 107.332 -1.358 . . . . 10.0 107.332 166.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.8 mt -74.75 126.62 31.28 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 123.585 0.553 . . . . 10.0 111.402 -167.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.0 p -130.17 178.8 6.29 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 126.637 1.975 . . . . 10.0 109.754 177.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -48.01 -29.77 3.76 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.625 1.17 . . . . 10.0 113.493 174.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.19 -49.85 5.73 Favored Glycine 0 CA--C 1.532 1.13 0 CA-C-N 118.797 0.726 . . . . 10.0 113.406 176.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.62 -42.17 98.21 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.012 0.925 . . . . 10.0 111.01 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.6 mt -68.33 -35.19 77.41 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 118.365 -0.826 . . . . 10.0 111.432 176.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . 0.269 14.5 t0 -70.15 -35.71 74.22 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 114.548 1.314 . . . . 10.0 114.548 170.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -54.72 -42.86 72.05 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 120.277 1.399 . . . . 10.0 109.729 169.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.4 mt -64.89 -46.38 91.97 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 CA-C-O 118.318 -0.849 . . . . 10.0 111.414 172.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -43.17 89.25 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 120.625 1.557 . . . . 10.0 111.35 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.4 t -68.81 -37.47 79.24 Favored 'General case' 0 C--N 1.339 0.109 0 CA-C-O 118.026 -0.988 . . . . 10.0 111.829 175.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -60.68 -42.46 97.16 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.526 1.057 . . . . 10.0 111.688 176.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -72.96 -41.8 64.05 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 118.286 -0.864 . . . . 10.0 112.92 175.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -56.41 -47.87 78.13 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.335 0.97 . . . . 10.0 111.282 174.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -63.63 -38.47 91.25 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.246 0.618 . . . . 10.0 111.906 175.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 91.6 m -62.16 -46.46 88.86 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 119.363 0.983 . . . . 10.0 111.567 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 57.4 mt -69.63 -43.11 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 CA-C-N 118.361 0.528 . . . . 10.0 110.601 177.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 t -56.99 -50.7 71.91 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.075 0.55 . . . . 10.0 111.728 176.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.82 -38.97 87.26 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 118.175 -0.917 . . . . 10.0 113.278 173.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -61.53 -45.62 93.39 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 120.039 1.291 . . . . 10.0 111.119 175.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 70.0 mt -64.24 -53.13 47.15 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 123.962 0.905 . . . . 10.0 109.273 178.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.43 -19.41 64.68 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 113.878 1.066 . . . . 10.0 113.878 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -100.11 0.93 41.68 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.351 1.061 . . . . 10.0 112.989 175.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 47.6 mtt180 -116.12 -34.35 4.73 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.974 1.472 . . . . 10.0 114.974 169.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.9 p -138.22 140.14 40.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 124.912 1.285 . . . . 10.0 109.798 -174.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.1 t -78.92 135.96 37.12 Favored 'General case' 0 C--O 1.225 -0.217 0 O-C-N 121.515 -0.74 . . . . 10.0 110.956 -176.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.41 -25.13 3.57 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.642 1.177 . . . . 10.0 113.488 169.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -61.3 -20.23 62.67 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.992 1.108 . . . . 10.0 113.992 171.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -95.6 -13.37 24.44 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.457 1.903 . . . . 10.0 111.498 176.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.9 mm -106.6 123.86 61.77 Favored 'Isoleucine or valine' 0 C--N 1.343 0.289 0 C-N-CA 125.319 1.448 . . . . 10.0 110.198 -168.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 38.2 t -70.64 -51.88 33.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 C-N-CA 124.111 0.964 . . . . 10.0 109.477 169.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -165.96 177.16 7.26 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.493 0.717 . . . . 10.0 112.321 175.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.8 pt -132.27 142.71 42.0 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 125.165 1.386 . . . . 10.0 111.233 170.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -113.53 121.71 45.07 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 107.656 -1.239 . . . . 10.0 107.656 167.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.2 mt -131.21 120.23 46.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 108.219 -1.03 . . . . 10.0 108.219 174.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 86.1 m -119.77 124.87 47.23 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 124.79 1.236 . . . . 10.0 108.836 176.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.7 t -111.55 117.92 56.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 N-CA-C 106.566 -1.642 . . . . 10.0 106.566 170.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.0 mt -102.97 139.12 38.95 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 125.222 1.409 . . . . 10.0 108.163 174.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.9 p -139.08 139.4 40.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 108.309 -0.997 . . . . 10.0 108.309 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -148.75 153.57 38.36 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.924 0.89 . . . . 10.0 110.282 -169.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -133.48 102.48 5.53 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 121.433 0.635 . . . . 10.0 109.956 170.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.2 t -131.14 80.92 1.96 Allowed 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.727 1.211 . . . . 10.0 108.589 -178.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.9 t70 65.29 -39.55 0.28 Allowed 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 127.813 2.445 . . . . 10.0 113.247 -167.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -111.13 159.62 17.67 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 127.563 2.345 . . . . 10.0 111.064 168.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -85.44 129.0 34.91 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.762 1.225 . . . . 10.0 108.433 171.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -122.69 147.15 46.8 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.464 0.65 . . . . 10.0 111.148 169.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.5 p -136.13 132.72 50.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 126.033 1.733 . . . . 10.0 107.278 169.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -138.87 130.44 27.38 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.996 1.318 . . . . 10.0 107.509 -169.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.2 mt -126.29 131.6 71.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 123.034 0.534 . . . . 10.0 109.642 -169.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.4 t -131.44 126.56 35.4 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 125.144 1.378 . . . . 10.0 109.173 175.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.12 149.56 52.54 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.866 0.867 . . . . 10.0 111.164 177.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.26 146.67 40.7 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.626 1.57 . . . . 10.0 110.185 175.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 35.2 tp -127.94 104.24 7.69 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 125.82 1.648 . . . . 10.0 109.2 -172.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -91.48 104.67 17.15 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.286 -1.005 . . . . 10.0 108.286 -178.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.4 mt -82.01 151.75 26.99 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 124.995 1.318 . . . . 10.0 110.027 175.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.511 ' C ' ' H ' ' A' ' 63' ' ' LEU . 25.9 t0 -62.38 147.12 49.44 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.7 -0.682 . . . . 10.0 110.728 168.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -70.43 25.37 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 126.048 1.739 . . . . 10.0 113.088 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.511 ' H ' ' C ' ' A' ' 61' ' ' ASP . 1.0 OUTLIER -152.8 7.61 0.42 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 129.135 2.974 . . . . 10.0 111.776 -171.532 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.4 m -132.37 149.46 52.35 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.678 1.591 . . . . 10.0 111.342 -178.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -144.1 94.57 2.6 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.414 1.086 . . . . 10.0 110.366 -169.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.57 -171.53 3.68 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.922 1.289 . . . . 10.0 111.613 168.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -85.36 142.26 37.68 Favored Pre-proline 0 CA--C 1.547 0.858 0 O-C-N 120.589 -1.319 . . . . 10.0 112.041 -169.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -74.12 57.84 4.09 Favored 'Trans proline' 0 CA--C 1.544 1.007 1 C-N-CA 125.8 4.333 . . . . 10.0 113.049 -173.148 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 171.15 -10.88 0.04 OUTLIER Glycine 0 CA--C 1.536 1.349 0 C-N-CA 126.461 1.982 . . . . 10.0 114.34 -176.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.2 tt -53.64 -30.54 18.64 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 C-N-CA 125.568 1.547 . . . . 10.0 114.502 -172.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.8 t -75.17 -54.0 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.752 1.221 . . . . 10.0 110.439 177.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -58.34 -41.04 83.74 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.542 1.137 . . . . 10.0 111.347 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -63.93 -31.63 72.88 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 118.559 -0.734 . . . . 10.0 112.32 172.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.54 -40.41 85.01 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.88 1.218 . . . . 10.0 111.241 174.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.6 t -73.21 -43.07 57.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 118.372 -0.823 . . . . 10.0 110.839 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -58.74 -39.03 79.73 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 119.665 1.12 . . . . 10.0 110.662 169.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.83 -41.11 99.19 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 120.394 1.452 . . . . 10.0 111.222 175.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.96 -45.09 96.12 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.947 0.794 . . . . 10.0 112.772 170.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -63.5 -43.03 98.41 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.403 1.001 . . . . 10.0 112.305 177.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.1 mmp_? -67.34 -43.25 82.0 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.073 1.749 . . . . 10.0 111.52 177.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 37.6 m -63.14 -45.59 91.23 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-O 118.322 -0.847 . . . . 10.0 110.059 174.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.4 tp -63.35 -41.38 98.86 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-N 118.685 0.675 . . . . 10.0 112.304 178.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -59.35 -41.53 89.43 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.846 0.858 . . . . 10.0 110.862 173.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 29.9 p -69.22 -31.72 70.49 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.25 0.833 . . . . 10.0 113.25 176.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -80.96 -42.23 21.59 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.449 1.1 . . . . 10.0 112.431 -178.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -69.64 -26.5 64.45 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.788 0.835 . . . . 10.0 111.546 175.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -59.44 -21.26 59.76 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 119.199 0.909 . . . . 10.0 111.383 166.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -84.4 -1.02 89.46 Favored Glycine 0 CA--C 1.536 1.398 0 CA-C-O 118.881 -0.955 . . . . 10.0 114.592 171.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -137.83 -2.47 1.91 Allowed 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 114.782 1.401 . . . . 10.0 114.782 -173.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.9 mtp-105 -142.42 -47.04 0.34 Allowed 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 114.985 1.476 . . . . 10.0 114.985 -178.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 . . . . . 0 CA--C 1.556 1.187 0 C-N-CA 125.586 1.554 . . . . 10.0 112.201 -164.441 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.4 mtp . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 117.19 -1.386 . . . . 10.0 107.51 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m -63.81 -32.6 74.17 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.651 1.114 . . . . 10.0 112.716 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -143.29 -178.14 5.71 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.924 1.689 . . . . 10.0 112.415 -172.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -113.23 -179.2 3.57 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 126.317 1.847 . . . . 10.0 110.98 -176.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -59.32 113.17 2.03 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 108.376 -0.972 . . . . 10.0 108.376 168.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 mp -74.55 122.27 22.85 Favored 'General case' 0 N--CA 1.455 -0.209 0 O-C-N 123.783 0.677 . . . . 10.0 110.765 -168.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.9 t -141.27 -171.16 3.23 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.509 1.524 . . . . 10.0 109.488 173.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -50.32 -39.5 46.03 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.734 1.214 . . . . 10.0 112.166 -173.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.26 -46.69 93.4 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 123.837 0.732 . . . . 10.0 114.189 177.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.82 -44.0 94.55 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.803 1.301 . . . . 10.0 110.514 176.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.7 mp -66.01 -36.69 83.96 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.076 0.95 . . . . 10.0 113.263 176.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -66.84 -44.18 81.74 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.279 1.032 . . . . 10.0 111.562 170.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -62.01 -44.09 97.45 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 118.967 0.803 . . . . 10.0 111.541 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -64.75 -43.03 96.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 123.233 0.613 . . . . 10.0 110.721 173.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.4 m -61.33 -37.4 83.12 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 121.642 -0.661 . . . . 10.0 112.149 176.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.7 t -68.31 -43.94 76.52 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-O 117.86 -1.067 . . . . 10.0 110.841 171.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -56.94 -38.92 73.58 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 120.48 1.491 . . . . 10.0 111.974 177.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.3 mt -65.5 -51.45 59.93 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.68 0.792 . . . . 10.0 112.044 171.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -59.63 -46.36 89.24 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.918 0.781 . . . . 10.0 112.25 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -60.66 -42.41 96.97 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.061 1.344 . . . . 10.0 110.825 174.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.6 m -61.01 -47.31 87.05 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.209 0.913 . . . . 10.0 110.465 178.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.7 mt -62.79 -49.39 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-N 118.314 0.506 . . . . 10.0 110.465 176.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.2 t -59.05 -47.1 86.45 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.211 0.604 . . . . 10.0 112.186 -177.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -65.32 -38.48 90.3 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.736 -0.602 . . . . 10.0 111.943 176.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -66.85 -37.69 84.93 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.313 -0.867 . . . . 10.0 111.989 175.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.6 mt -62.2 -52.98 53.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 CA-C-O 118.267 -0.873 . . . . 10.0 109.071 171.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.1 mp -59.02 -30.44 68.01 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 113.602 0.964 . . . . 10.0 113.602 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.12 -17.62 52.05 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.763 1.023 . . . . 10.0 113.763 173.245 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -100.32 -31.21 11.45 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 114.344 1.238 . . . . 10.0 114.344 177.283 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 38.6 t -145.52 139.34 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 126.552 1.941 . . . . 10.0 108.972 -175.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.4 t -76.48 136.39 39.38 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 113.822 1.045 . . . . 10.0 113.822 -176.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.91 -24.62 3.74 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 123.908 0.883 . . . . 10.0 112.404 165.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -70.57 -22.63 62.56 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 114.71 1.374 . . . . 10.0 114.71 173.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -113.03 -11.47 13.36 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 119.701 1.137 . . . . 10.0 112.745 -177.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.1 mt -85.76 128.03 39.6 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 126.545 1.938 . . . . 10.0 108.301 168.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.6 t -73.49 -49.17 38.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 123.851 0.86 . . . . 10.0 109.568 168.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -161.84 174.89 12.53 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 121.706 0.765 . . . . 10.0 112.747 172.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 pp -130.56 143.24 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 C-N-CA 125.21 1.404 . . . . 10.0 110.559 169.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -119.16 127.97 53.82 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 106.318 -1.734 . . . . 10.0 106.318 168.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 62.3 mt -131.31 126.52 58.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 N-CA-C 107.317 -1.364 . . . . 10.0 107.317 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 94.7 m -118.95 117.58 29.21 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 107.744 -1.206 . . . . 10.0 107.744 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.6 t -115.69 123.05 70.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 N-CA-C 107.394 -1.335 . . . . 10.0 107.394 169.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.8 mt -117.77 138.25 52.18 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 124.072 0.949 . . . . 10.0 108.542 171.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.6 p -139.57 131.08 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 C-N-CA 124.114 0.966 . . . . 10.0 108.673 -179.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -147.28 159.77 43.28 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.961 0.905 . . . . 10.0 110.348 -169.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -135.82 113.34 10.81 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.422 0.689 . . . . 10.0 109.746 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 98.6 m -131.86 86.46 2.34 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 120.966 -1.084 . . . . 10.0 109.946 171.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.3 t70 64.6 -36.26 0.19 Allowed 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 127.289 2.235 . . . . 10.0 113.728 -168.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -119.8 156.15 31.18 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 128.099 2.56 . . . . 10.0 110.347 169.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 53.7 tp -85.35 129.3 34.84 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 126.351 1.861 . . . . 10.0 110.503 177.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -126.65 147.3 49.93 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.769 0.795 . . . . 10.0 111.213 168.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 8.9 p -136.11 141.8 40.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 C-N-CA 125.415 1.486 . . . . 10.0 107.975 172.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -141.35 125.81 17.7 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.479 1.512 . . . . 10.0 108.8 -166.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.8 mt -132.19 132.53 60.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 123.474 0.71 . . . . 10.0 111.577 -169.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.4 t -130.37 139.91 50.63 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.351 1.461 . . . . 10.0 108.944 167.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.43 143.36 50.39 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.284 0.633 . . . . 10.0 110.496 169.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -131.49 136.61 48.04 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.845 1.658 . . . . 10.0 109.503 -173.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -115.02 122.39 46.06 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 125.492 1.517 . . . . 10.0 108.731 -177.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -114.09 102.78 10.49 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 107.851 -1.166 . . . . 10.0 107.851 172.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -82.4 152.09 26.33 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 126.243 1.817 . . . . 10.0 111.615 177.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.495 ' C ' ' H ' ' A' ' 63' ' ' LEU . 32.5 t0 -58.46 147.29 32.19 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 112.176 0.436 . . . . 10.0 112.176 168.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.48 25.2 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 128.545 2.738 . . . . 10.0 113.671 -178.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.495 ' H ' ' C ' ' A' ' 61' ' ' ASP . 28.4 tp -145.01 1.59 0.99 Allowed 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 129.033 2.933 . . . . 10.0 111.259 -173.194 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.7 m -129.1 155.91 44.71 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.089 1.356 . . . . 10.0 111.775 -169.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -151.56 94.84 2.05 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.542 1.137 . . . . 10.0 109.507 -171.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.66 -173.24 3.7 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.764 1.626 . . . . 10.0 113.038 178.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -85.46 141.58 36.81 Favored Pre-proline 0 CA--C 1.546 0.825 0 O-C-N 120.771 -1.205 . . . . 10.0 110.275 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -73.89 50.54 2.15 Favored 'Trans proline' 0 CA--C 1.548 1.191 1 C-N-CA 125.879 4.386 . . . . 10.0 113.053 -177.474 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 177.74 4.62 0.02 OUTLIER Glycine 0 CA--C 1.542 1.779 0 C-N-CA 127.771 2.605 . . . . 10.0 114.705 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.2 tt -62.82 -25.31 38.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 CA-C-N 119.472 1.636 . . . . 10.0 114.354 -169.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.4 p -86.14 -37.13 11.38 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.209 0 C-N-CA 124.338 1.055 . . . . 10.0 112.613 176.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.65 -36.18 61.8 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.878 1.271 . . . . 10.0 110.723 173.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -63.65 -40.93 98.1 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.746 0.819 . . . . 10.0 111.478 172.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.13 -42.39 80.24 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.942 0.792 . . . . 10.0 111.943 177.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.8 t -69.71 -45.25 78.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 CA-C-N 118.279 0.491 . . . . 10.0 110.952 -179.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -58.67 -40.12 82.61 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.622 1.169 . . . . 10.0 111.002 172.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.51 94.77 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 120.916 -1.115 . . . . 10.0 112.822 172.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.07 -42.72 96.88 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.434 1.016 . . . . 10.0 112.318 172.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -62.78 -43.21 99.4 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.791 -0.568 . . . . 10.0 112.011 174.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -72.29 -38.9 68.64 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 118.364 -0.827 . . . . 10.0 112.824 178.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.6 p -63.2 -40.62 98.03 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 119.266 0.939 . . . . 10.0 110.909 174.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 29.9 tp -64.03 -47.05 81.74 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 118.837 -0.601 . . . . 10.0 112.089 174.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -64.66 -41.29 96.19 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 118.881 0.764 . . . . 10.0 111.5 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.6 t -72.12 -19.26 61.82 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.472 0.916 . . . . 10.0 113.472 176.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -81.12 -42.39 21.02 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.38 1.072 . . . . 10.0 111.097 169.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -60.02 -29.7 68.67 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.457 1.103 . . . . 10.0 113.515 175.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -55.86 -10.88 0.84 Allowed 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 126.048 1.739 . . . . 10.0 113.804 167.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -126.65 11.6 7.05 Favored Glycine 0 CA--C 1.54 1.639 0 C-N-CA 124.905 1.24 . . . . 10.0 114.329 169.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -128.26 -9.11 5.28 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.904 1.282 . . . . 10.0 113.844 -173.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.4 mtp85 -146.06 -52.16 0.24 Allowed 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.708 1.373 . . . . 10.0 114.708 169.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 . . . . . 0 C--O 1.252 1.2 0 CA-C-O 116.254 -1.832 . . . . 10.0 114.521 -166.672 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.6 mtt . . . . . 0 N--CA 1.481 1.082 0 CA-C-O 118.045 -0.979 . . . . 10.0 109.285 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 m -127.14 0.77 6.47 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 113.612 0.967 . . . . 10.0 113.612 176.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 97.8 mt -69.12 179.31 1.95 Allowed 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.091 1.757 . . . . 10.0 111.968 174.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -135.97 178.14 7.28 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.641 1.976 . . . . 10.0 108.383 -178.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.61 107.0 0.11 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.449 1.1 . . . . 10.0 110.946 171.284 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.3 mt -77.82 106.24 9.53 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 121.758 -0.589 . . . . 10.0 110.258 -174.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.4 ' C ' ' H ' ' A' ' 9' ' ' GLY . 11.2 t -148.74 -166.98 2.7 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.781 0.832 . . . . 10.0 110.79 -178.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -59.11 23.61 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 130.851 3.66 . . . . 10.0 115.818 -176.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.4 ' H ' ' C ' ' A' ' 7' ' ' THR . . . -142.46 -49.04 0.04 OUTLIER Glycine 0 CA--C 1.526 0.779 0 C-N-CA 125.736 1.636 . . . . 10.0 111.145 171.183 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.14 -42.54 75.84 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.409 1.484 . . . . 10.0 111.328 179.133 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.9 mt -69.91 -31.99 70.06 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.068 0.947 . . . . 10.0 112.151 170.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -67.82 -41.09 83.6 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 122.995 0.518 . . . . 10.0 111.635 174.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -61.93 -39.2 91.23 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.146 -0.971 . . . . 10.0 112.423 172.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 78.8 mt -64.93 -43.78 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 121.402 -0.811 . . . . 10.0 110.444 172.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.9 m -61.07 -40.97 95.71 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.715 0.806 . . . . 10.0 111.572 176.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.3 t -63.31 -43.88 96.58 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 125.734 1.614 . . . . 10.0 111.593 172.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -58.38 -42.49 87.18 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.776 0.716 . . . . 10.0 111.933 173.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.95 -51.14 68.06 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.514 0.597 . . . . 10.0 111.835 174.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -59.35 -44.03 92.72 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.37 0.668 . . . . 10.0 112.177 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -64.46 -40.1 95.07 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 118.685 -0.674 . . . . 10.0 111.479 173.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.3 m -61.16 -47.22 87.19 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.423 1.01 . . . . 10.0 111.83 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 39.3 mt -61.16 -44.75 98.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 CA-C-N 118.554 0.615 . . . . 10.0 110.209 174.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.8 m -60.44 -50.99 71.38 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.631 0.773 . . . . 10.0 111.729 -178.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -58.76 -38.57 78.78 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 115.686 1.736 . . . . 10.0 115.686 169.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -64.46 -45.89 85.47 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.283 0.947 . . . . 10.0 110.286 177.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.5 mt -61.6 -49.43 84.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 124.559 1.143 . . . . 10.0 110.38 176.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.9 -10.67 14.28 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 114.309 1.226 . . . . 10.0 114.309 176.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.2 mtmm -118.24 14.77 13.95 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.118 1.367 . . . . 10.0 112.413 172.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.67 -38.67 3.43 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 126.994 2.118 . . . . 10.0 113.226 169.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.0 p -146.43 151.64 14.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.798 1.239 . . . . 10.0 110.879 -175.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.3 t -80.51 124.13 28.68 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 121.563 -0.711 . . . . 10.0 111.774 -174.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.84 -24.84 3.83 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.28 1.432 . . . . 10.0 113.705 169.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -58.15 -19.79 35.68 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 113.992 1.108 . . . . 10.0 113.992 170.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -102.98 -8.65 20.47 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.894 1.677 . . . . 10.0 112.197 178.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.6 mm -97.39 119.82 45.93 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 C-N-CA 124.723 1.209 . . . . 10.0 108.771 -172.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.5 t -68.91 -50.12 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 C-N-CA 124.352 1.061 . . . . 10.0 109.271 170.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -164.03 177.05 8.77 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.389 0.885 . . . . 10.0 113.389 171.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.1 pt -131.2 142.53 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 125.55 1.54 . . . . 10.0 110.364 169.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -129.1 117.76 21.37 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 124.321 1.049 . . . . 10.0 109.095 173.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.3 mt -128.58 126.36 65.21 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 N-CA-C 107.828 -1.175 . . . . 10.0 107.828 -174.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 53.6 m -119.6 117.6 28.76 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 125.171 1.388 . . . . 10.0 107.682 178.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 m -115.77 120.21 64.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 126.475 1.91 . . . . 10.0 108.161 177.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.0 mp -117.64 138.84 51.69 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 124.533 1.133 . . . . 10.0 108.592 176.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.8 p -139.77 134.68 38.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 123.725 0.81 . . . . 10.0 108.948 172.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -145.98 156.37 43.45 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.718 1.207 . . . . 10.0 109.538 -174.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -130.42 108.36 9.91 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 109.453 -0.573 . . . . 10.0 109.453 174.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.8 t -131.26 80.69 1.95 Allowed 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.615 1.166 . . . . 10.0 108.525 -179.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.6 t70 62.65 -37.26 0.14 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 128.128 2.571 . . . . 10.0 113.785 -167.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -120.23 159.88 24.07 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 128.802 2.841 . . . . 10.0 109.841 171.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 63.0 tp -85.05 129.3 34.82 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.535 1.534 . . . . 10.0 110.096 -177.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -116.63 130.73 56.91 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.444 1.098 . . . . 10.0 109.104 172.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.9 p -136.25 124.65 36.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 C-N-CA 124.575 1.15 . . . . 10.0 108.692 171.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -135.02 133.53 39.51 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 124.46 1.104 . . . . 10.0 109.634 -167.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 38.2 mt -132.04 127.17 57.66 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.116 0 C-N-CA 123.981 0.912 . . . . 10.0 108.831 -169.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.8 m -131.87 133.03 44.17 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 123.705 0.802 . . . . 10.0 109.832 168.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.21 142.08 50.13 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.654 0.781 . . . . 10.0 110.512 176.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -131.4 139.67 49.49 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.787 1.635 . . . . 10.0 109.396 172.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.7 tp -128.06 115.2 18.09 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 126.33 1.852 . . . . 10.0 108.007 -170.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -107.37 110.08 21.97 Favored 'General case' 0 CA--C 1.528 0.105 0 N-CA-C 109.643 -0.503 . . . . 10.0 109.643 -172.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -82.22 151.95 26.63 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 126.596 1.959 . . . . 10.0 110.941 176.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.502 ' C ' ' H ' ' A' ' 63' ' ' LEU . 34.2 t0 -61.38 147.53 44.58 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.245 167.126 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -64.9 29.29 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 127.439 2.296 . . . . 10.0 113.139 177.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.502 ' H ' ' C ' ' A' ' 61' ' ' ASP . 8.0 tp -150.74 2.78 0.46 Allowed 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 128.618 2.767 . . . . 10.0 112.602 -172.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.8 t -141.59 164.39 30.33 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 119.707 1.14 . . . . 10.0 112.142 171.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -145.48 94.72 2.55 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 127.036 2.134 . . . . 10.0 109.005 -169.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.89 174.81 2.77 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.482 0.713 . . . . 10.0 112.262 169.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -85.29 142.67 38.23 Favored Pre-proline 0 CA--C 1.546 0.79 0 O-C-N 120.912 -1.118 . . . . 10.0 112.026 -168.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -73.99 58.88 4.27 Favored 'Trans proline' 0 CA--C 1.544 1.021 1 C-N-CA 125.842 4.361 . . . . 10.0 113.258 -170.248 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 172.27 -11.66 0.04 OUTLIER Glycine 0 CA--C 1.536 1.384 0 C-N-CA 126.593 2.044 . . . . 10.0 114.132 -178.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.5 tt -55.28 -28.61 21.99 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 C-N-CA 125.721 1.608 . . . . 10.0 114.745 -173.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 79.5 t -80.1 -49.34 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 126.116 1.766 . . . . 10.0 111.292 176.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -57.13 -38.0 72.83 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.536 1.135 . . . . 10.0 111.262 174.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -63.84 -39.72 94.88 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 118.808 -0.615 . . . . 10.0 111.523 170.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.93 -41.17 87.47 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 119.62 1.1 . . . . 10.0 111.674 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 45.9 t -65.51 -50.76 70.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 125.23 1.412 . . . . 10.0 110.659 177.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -58.68 -39.08 79.66 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 119.202 0.91 . . . . 10.0 112.018 171.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.27 -38.13 89.97 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 119.49 1.041 . . . . 10.0 111.397 176.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.08 -43.56 91.78 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 118.641 0.655 . . . . 10.0 112.134 169.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -62.72 -43.4 98.91 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 119.213 0.915 . . . . 10.0 113.195 176.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.433 HH21 ' CD ' ' A' ' 83' ' ' GLU . 2.8 mtp180 -71.88 -34.69 69.38 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.653 0.781 . . . . 10.0 110.854 177.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.9 m -63.49 -39.19 93.79 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.772 -0.58 . . . . 10.0 111.552 170.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.0 tp -66.02 -42.5 89.55 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 123.522 0.729 . . . . 10.0 112.096 173.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.433 ' CD ' HH21 ' A' ' 80' ' ' ARG . 80.6 tt0 -59.5 -41.29 89.55 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.352 0.661 . . . . 10.0 111.195 175.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.8 m -71.75 -29.3 64.36 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.49 0.922 . . . . 10.0 113.49 170.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -67.18 -42.45 84.21 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.224 -0.923 . . . . 10.0 110.762 176.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -70.22 -32.51 70.44 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.763 1.165 . . . . 10.0 112.303 174.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -59.9 -10.29 3.87 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.696 1.198 . . . . 10.0 113.088 169.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -119.01 17.33 10.72 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 125.052 1.31 . . . . 10.0 113.939 171.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -141.84 -35.34 0.45 Allowed 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 115.557 1.688 . . . . 10.0 115.557 -175.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 73.9 mtp85 -88.47 -31.91 18.52 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-O 118.294 -0.86 . . . . 10.0 111.608 175.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 . . . . . 0 C--O 1.252 1.231 0 C-N-CA 125.018 1.327 . . . . 10.0 107.839 165.618 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.5 ttt . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 118.061 -0.971 . . . . 10.0 108.919 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.1 m 61.76 87.24 0.1 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.925 1.29 . . . . 10.0 114.152 172.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.434 ' H ' HD22 ' A' ' 3' ' ' LEU . 1.4 pt? -58.3 168.91 0.95 Allowed 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.409 1.084 . . . . 10.0 112.274 169.08 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.38 -158.64 0.66 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.345 1.458 . . . . 10.0 108.143 171.07 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -62.61 131.89 50.55 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 120.92 -1.113 . . . . 10.0 108.407 169.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.2 mp -74.54 113.2 11.51 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 108.68 -0.859 . . . . 10.0 108.68 -173.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.3 t -149.32 175.16 11.67 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 125.77 1.628 . . . . 10.0 109.588 -169.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -61.9 41.22 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 129.973 3.309 . . . . 10.0 114.044 173.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.62 -58.68 0.01 OUTLIER Glycine 0 CA--C 1.528 0.905 0 C-N-CA 128.282 2.848 . . . . 10.0 109.214 176.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.01 -44.47 96.64 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 117.83 0.815 . . . . 10.0 111.782 173.013 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.4 mt -67.1 -41.23 86.6 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.025 0.53 . . . . 10.0 111.433 179.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -70.21 -35.87 74.19 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 114.394 1.257 . . . . 10.0 114.394 174.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -54.83 -43.33 72.9 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.677 1.126 . . . . 10.0 110.503 169.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 92.2 mt -65.18 -42.61 94.62 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 C-N-CA 123.342 0.657 . . . . 10.0 111.689 172.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.72 -43.28 90.09 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 119.565 1.075 . . . . 10.0 111.18 176.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.9 t -67.56 -43.87 79.62 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 125.192 1.397 . . . . 10.0 111.553 177.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -59.72 -42.62 93.48 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 118.601 0.637 . . . . 10.0 111.841 175.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.6 mt -68.54 -44.8 73.79 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.266 0.626 . . . . 10.0 111.898 176.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -58.62 -49.18 78.43 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.374 0.534 . . . . 10.0 111.29 175.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -60.7 -39.4 88.4 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-O 118.588 -0.72 . . . . 10.0 112.029 173.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.8 m -61.02 -42.8 99.15 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.715 1.143 . . . . 10.0 111.264 -178.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.5 mt -70.44 -47.31 66.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 CA-C-N 118.294 0.497 . . . . 10.0 110.971 172.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.1 t -60.78 -48.17 83.01 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.205 0.602 . . . . 10.0 112.073 -175.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -66.63 -33.68 76.19 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.459 1.104 . . . . 10.0 112.457 175.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -62.64 -45.92 90.6 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 119.683 1.129 . . . . 10.0 110.427 171.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.0 mt -63.63 -50.03 79.84 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 123.987 0.915 . . . . 10.0 110.271 178.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -59.01 -18.97 39.34 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.031 1.332 . . . . 10.0 113.743 178.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -112.66 9.67 19.31 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.55 1.14 . . . . 10.0 112.462 176.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.69 -38.78 4.19 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.553 1.941 . . . . 10.0 112.461 169.031 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.7 t -142.06 146.68 22.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 125.63 1.572 . . . . 10.0 109.639 -177.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.1 t -79.84 136.31 36.67 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 114.934 1.457 . . . . 10.0 114.934 -168.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.69 -24.82 9.32 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 120.975 -1.078 . . . . 10.0 113.232 167.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -71.21 -22.7 61.98 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.918 1.081 . . . . 10.0 113.918 173.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -113.97 2.82 15.14 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.063 0.945 . . . . 10.0 112.466 -177.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 73.5 mt -99.14 125.82 52.56 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 126.434 1.894 . . . . 10.0 107.728 172.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.5 t -71.32 -53.32 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 C-N-CA 124.289 1.036 . . . . 10.0 109.069 169.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -164.44 177.06 8.47 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.667 0.787 . . . . 10.0 112.162 172.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.9 pt -134.0 129.62 54.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 125.484 1.514 . . . . 10.0 111.048 174.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -97.27 119.76 36.39 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 107.842 -1.17 . . . . 10.0 107.842 168.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 87.2 mt -131.18 121.08 48.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 N-CA-C 108.683 -0.858 . . . . 10.0 108.683 172.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 71.5 m -119.74 117.89 29.42 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 125.112 1.365 . . . . 10.0 108.383 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.4 t -115.7 120.15 63.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 124.475 1.11 . . . . 10.0 108.838 172.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.4 mp -117.71 139.32 51.19 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.819 1.647 . . . . 10.0 109.089 175.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.9 p -136.78 137.25 47.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 O-C-N 121.559 -0.713 . . . . 10.0 109.194 176.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -149.9 152.08 34.48 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.492 1.117 . . . . 10.0 109.793 -168.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -139.0 101.74 4.36 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 106.83 -1.545 . . . . 10.0 106.83 178.292 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -130.82 81.53 2.0 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 126.264 1.825 . . . . 10.0 107.565 -169.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.5 t70 68.92 -34.82 0.28 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 127.655 2.382 . . . . 10.0 112.503 -167.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -133.94 159.81 39.61 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.257 1.823 . . . . 10.0 110.234 169.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 40.4 tp -85.03 128.91 34.83 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.423 1.489 . . . . 10.0 109.381 -177.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -135.88 147.44 48.19 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 122.231 1.015 . . . . 10.0 111.428 174.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.0 p -136.16 133.12 50.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 125.199 1.399 . . . . 10.0 108.345 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -117.94 129.18 55.46 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 126.078 1.751 . . . . 10.0 107.449 -174.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 31.7 mt -130.15 127.34 63.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 N-CA-C 108.177 -1.046 . . . . 10.0 108.177 178.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.0 m -131.87 133.98 45.22 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 123.718 0.807 . . . . 10.0 109.997 168.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.26 145.92 52.1 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.034 0.934 . . . . 10.0 110.829 174.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.76 147.37 39.01 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.489 1.515 . . . . 10.0 110.202 174.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 68.0 tp -127.97 104.22 7.68 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 125.485 1.514 . . . . 10.0 110.393 -169.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -94.02 102.96 15.05 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 108.785 -0.82 . . . . 10.0 108.785 -178.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 77.1 mt -87.45 152.07 22.53 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 125.318 1.447 . . . . 10.0 112.356 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -59.63 147.11 38.55 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.502 -0.772 . . . . 10.0 110.742 169.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -72.58 36.41 0.07 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.296 1.839 . . . . 10.0 113.715 -175.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.0 tt -146.97 -37.94 0.21 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 127.098 2.159 . . . . 10.0 111.182 -169.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.9 m -86.99 159.24 19.06 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.555 0.742 . . . . 10.0 112.465 175.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -150.07 94.76 2.19 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.168 1.387 . . . . 10.0 108.493 -174.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.7 -178.03 6.89 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.048 1.339 . . . . 10.0 112.579 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -85.36 143.2 38.69 Favored Pre-proline 0 CA--C 1.548 0.877 0 O-C-N 120.822 -1.173 . . . . 10.0 112.169 -168.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -74.23 58.35 4.3 Favored 'Trans proline' 0 CA--C 1.544 1.014 1 C-N-CA 125.886 4.391 . . . . 10.0 113.726 -169.611 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 177.75 -19.78 0.04 OUTLIER Glycine 0 CA--C 1.534 1.251 0 C-N-CA 126.356 1.932 . . . . 10.0 113.711 -178.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.2 tt -53.33 -24.5 8.61 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 N-CA-C 116.213 1.931 . . . . 10.0 116.213 -169.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 92.1 t -79.31 -56.98 5.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 125.005 1.322 . . . . 10.0 110.765 173.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -55.79 -36.21 67.15 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.708 1.203 . . . . 10.0 111.502 176.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -63.82 -32.01 73.37 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.793 0.837 . . . . 10.0 112.138 172.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.94 -40.73 78.82 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 119.333 0.97 . . . . 10.0 111.137 174.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.6 t -69.86 -43.05 79.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 122.647 0.379 . . . . 10.0 110.641 178.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -58.69 -41.26 85.82 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.601 1.56 . . . . 10.0 111.541 172.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.97 -42.07 99.72 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-O 118.962 -0.542 . . . . 10.0 111.832 172.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.06 -43.57 98.55 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.106 0.866 . . . . 10.0 112.63 172.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -63.83 -43.22 96.84 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.852 0.751 . . . . 10.0 112.017 177.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 58.8 mtt-85 -72.55 -33.92 67.15 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 118.96 0.8 . . . . 10.0 112.592 178.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.9 t -63.05 -43.7 97.88 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-O 118.533 -0.746 . . . . 10.0 110.109 170.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 23.8 tp -62.65 -44.25 96.75 Favored 'General case' 0 C--N 1.343 0.296 0 CA-C-O 118.282 -0.866 . . . . 10.0 112.739 174.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -58.74 -41.5 86.6 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 118.98 0.809 . . . . 10.0 111.579 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . 0.332 38.6 m -90.07 -17.65 27.36 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 114.696 1.369 . . . . 10.0 114.696 178.513 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -64.46 -42.31 96.01 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 107.286 -1.376 . . . . 10.0 107.286 164.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -67.06 -32.83 74.28 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.992 1.317 . . . . 10.0 113.788 173.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -55.49 -19.97 11.32 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 119.651 1.114 . . . . 10.0 111.786 167.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -117.47 16.74 12.58 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 125.466 1.507 . . . . 10.0 113.858 175.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -136.43 -27.49 1.06 Allowed 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 118.781 1.291 . . . . 10.0 113.945 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -145.51 -28.47 0.44 Allowed 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 115.74 1.756 . . . . 10.0 115.74 176.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . 0.283 13.7 pt-20 . . . . . 0 C--O 1.256 1.426 0 CA-C-O 116.72 -1.609 . . . . 10.0 113.267 -166.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 109.628 -0.508 . . . . 10.0 109.628 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.6 p -74.33 51.98 0.46 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.484 1.514 . . . . 10.0 112.93 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.26 167.3 4.2 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.692 1.597 . . . . 10.0 113.012 -174.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.47 170.17 16.92 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.133 1.373 . . . . 10.0 111.725 -168.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.4 mmtt -62.17 121.76 13.9 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 107.899 -1.149 . . . . 10.0 107.899 167.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 mp -74.7 112.17 10.63 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 109.676 -0.491 . . . . 10.0 109.676 -172.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.3 t -132.59 -176.07 3.97 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.8 0.84 . . . . 10.0 109.674 170.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -46.68 -39.77 12.0 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.224 1.409 . . . . 10.0 113.218 -172.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.45 -56.41 19.93 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 123.815 0.721 . . . . 10.0 113.386 175.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.82 -37.32 86.95 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.084 0.954 . . . . 10.0 111.675 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.9 mt -69.7 -37.42 76.58 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.204 1.002 . . . . 10.0 112.034 177.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -67.2 -42.68 83.76 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.899 0.772 . . . . 10.0 111.408 169.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -63.44 -38.64 91.92 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.382 0.992 . . . . 10.0 112.938 174.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 52.1 mt -64.94 -43.61 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 O-C-N 121.129 -0.982 . . . . 10.0 110.392 171.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.4 m -61.16 -41.19 96.32 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.404 0.682 . . . . 10.0 111.398 175.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.9 t -63.27 -43.91 96.6 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.211 1.404 . . . . 10.0 111.915 172.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -61.21 -41.02 96.12 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.099 0.96 . . . . 10.0 112.066 174.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.2 mt -62.37 -51.38 67.81 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.569 0.748 . . . . 10.0 111.683 172.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.9 t-160 -58.94 -47.72 84.07 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 118.325 0.511 . . . . 10.0 111.673 179.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -62.71 -37.15 85.36 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 118.684 -0.674 . . . . 10.0 111.932 175.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.9 m -61.14 -46.2 91.54 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.526 1.057 . . . . 10.0 111.232 176.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 52.4 mt -65.97 -45.73 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 CA-C-N 118.516 0.598 . . . . 10.0 110.591 175.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.8 t -56.47 -51.14 69.57 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.33 0.652 . . . . 10.0 112.077 177.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.93 -39.0 87.79 Favored 'General case' 0 C--N 1.342 0.25 0 N-CA-C 113.871 1.063 . . . . 10.0 113.871 172.11 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -65.47 -45.57 83.19 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.997 1.271 . . . . 10.0 110.704 179.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.8 mt -59.82 -53.12 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-O 117.879 -1.058 . . . . 10.0 109.354 174.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.02 -24.46 67.93 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.795 1.179 . . . . 10.0 114.068 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -91.83 1.98 56.81 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.737 1.215 . . . . 10.0 112.696 174.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -119.32 -30.9 4.8 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.248 1.419 . . . . 10.0 114.321 173.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.5 p -151.44 154.09 8.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 127.673 2.389 . . . . 10.0 109.34 177.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.5 t -108.18 136.72 47.38 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 120.264 -1.523 . . . . 10.0 112.7 -169.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.67 -24.78 3.58 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.035 1.334 . . . . 10.0 113.862 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 pptp? -53.53 -17.94 2.44 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 116.043 1.868 . . . . 10.0 116.043 169.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -122.48 6.82 9.53 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.12 1.368 . . . . 10.0 114.493 177.329 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 73.0 mt -106.8 128.3 61.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 127.332 2.253 . . . . 10.0 109.318 178.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.9 t -69.44 -54.01 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 123.515 0.726 . . . . 10.0 110.523 170.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -164.06 177.04 8.76 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.868 0.867 . . . . 10.0 112.157 174.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.8 pp -131.22 143.22 41.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 125.263 1.425 . . . . 10.0 111.254 171.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -109.95 119.67 40.07 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 107.643 -1.243 . . . . 10.0 107.643 167.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 80.7 mt -131.09 113.64 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 N-CA-C 108.214 -1.032 . . . . 10.0 108.214 173.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 48.9 m -119.79 120.52 36.77 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 125.047 1.339 . . . . 10.0 109.067 177.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.5 m -115.51 124.19 71.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 126.051 1.74 . . . . 10.0 108.445 -178.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 mp -117.83 133.03 56.34 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 124.768 1.227 . . . . 10.0 108.564 -177.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.6 p -139.6 134.66 39.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 123.244 0.618 . . . . 10.0 110.046 177.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -147.43 159.87 43.21 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.471 1.109 . . . . 10.0 110.658 -170.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -129.99 109.04 10.56 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 108.829 -0.804 . . . . 10.0 108.829 172.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.424 ' C ' ' H ' ' A' ' 49' ' ' GLU . 0.2 OUTLIER -131.2 80.67 1.95 Allowed 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.517 1.527 . . . . 10.0 108.008 -176.258 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.1 t70 63.85 -29.61 0.1 Allowed 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 127.06 2.144 . . . . 10.0 113.684 -167.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.424 ' H ' ' C ' ' A' ' 47' ' ' THR . 34.8 tt0 -132.44 159.84 38.15 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.951 2.501 . . . . 10.0 109.629 169.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -85.06 128.47 34.65 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 124.905 1.282 . . . . 10.0 108.43 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -129.95 150.32 51.29 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.945 0.898 . . . . 10.0 111.168 176.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.7 p -136.0 147.97 27.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 125.46 1.504 . . . . 10.0 108.511 174.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -141.29 146.35 36.66 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 123.849 0.86 . . . . 10.0 111.308 170.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 21.9 mt -132.25 109.01 14.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 C-N-CA 125.023 1.329 . . . . 10.0 109.84 -169.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.1 m -103.86 122.17 44.59 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 108.699 -0.852 . . . . 10.0 108.699 171.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.17 141.2 50.05 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.481 0.712 . . . . 10.0 110.942 172.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.74 147.11 38.64 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.701 1.6 . . . . 10.0 110.348 178.289 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 66.2 tp -128.02 104.33 7.73 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 125.839 1.656 . . . . 10.0 110.59 -170.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -93.17 102.72 15.02 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 108.767 -0.827 . . . . 10.0 108.767 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.4 mt -82.31 151.91 26.53 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.618 1.167 . . . . 10.0 111.674 176.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.482 ' C ' ' H ' ' A' ' 63' ' ' LEU . 32.3 t0 -62.77 147.71 49.03 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.236 0.458 . . . . 10.0 112.236 168.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -64.84 18.5 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 127.642 2.377 . . . . 10.0 113.812 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.482 ' H ' ' C ' ' A' ' 61' ' ' ASP . 94.1 mt -137.52 7.37 2.8 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 128.946 2.898 . . . . 10.0 111.592 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.2 m -115.8 143.31 45.58 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 125.148 1.379 . . . . 10.0 111.697 -172.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -139.7 94.68 2.8 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.308 1.443 . . . . 10.0 108.469 178.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.74 -170.65 3.21 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.879 1.272 . . . . 10.0 111.995 170.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -85.6 143.29 38.23 Favored Pre-proline 0 CA--C 1.546 0.819 0 O-C-N 121.182 -0.949 . . . . 10.0 111.28 -175.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -73.58 58.5 3.86 Favored 'Trans proline' 0 CA--C 1.545 1.056 1 C-N-CA 125.666 4.244 . . . . 10.0 112.647 -177.253 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 169.07 -1.82 0.04 OUTLIER Glycine 0 CA--C 1.538 1.478 0 C-N-CA 126.656 2.074 . . . . 10.0 114.739 -178.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.3 tt -59.47 -26.37 34.1 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 119.171 1.486 . . . . 10.0 114.676 -170.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.4 t -80.7 -50.33 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 124.509 1.124 . . . . 10.0 109.536 174.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.85 -39.56 65.74 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.752 2.021 . . . . 10.0 111.6 178.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -63.68 -38.17 90.09 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.948 0.899 . . . . 10.0 111.162 173.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.64 -41.58 75.42 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.753 0.706 . . . . 10.0 111.4 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.0 t -67.77 -44.98 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-O 119.179 -0.439 . . . . 10.0 110.528 178.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -58.62 -42.93 89.38 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.574 1.15 . . . . 10.0 111.612 172.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.97 -40.48 97.85 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 118.672 -0.68 . . . . 10.0 111.584 174.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.72 -45.14 87.82 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.371 0.987 . . . . 10.0 112.59 173.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -61.24 -43.22 99.23 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.015 0.825 . . . . 10.0 111.869 175.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -72.44 -38.57 68.28 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.838 0.855 . . . . 10.0 112.399 179.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 45.5 t -63.0 -41.96 99.72 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.966 0.906 . . . . 10.0 110.343 174.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 24.1 tp -61.36 -46.96 88.04 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 118.178 -0.915 . . . . 10.0 111.925 172.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -64.21 -41.13 97.17 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 120.168 1.349 . . . . 10.0 112.077 178.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 71.7 m -65.23 -23.03 66.95 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 113.8 1.037 . . . . 10.0 113.8 173.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -81.08 -42.07 21.59 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.474 1.109 . . . . 10.0 112.79 169.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.17 -12.89 22.33 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.835 1.654 . . . . 10.0 112.881 174.149 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -44.22 -45.1 8.29 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.685 1.194 . . . . 10.0 110.039 165.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -72.77 -4.64 62.37 Favored Glycine 0 CA--C 1.539 1.541 0 N-CA-C 115.309 0.883 . . . . 10.0 115.309 179.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -116.05 -26.36 7.31 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.793 1.637 . . . . 10.0 113.076 178.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 49.5 mtm180 -132.49 -18.38 2.5 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 115.235 1.569 . . . . 10.0 115.235 -169.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 . . . . . 0 C--O 1.252 1.212 0 C-N-CA 125.512 1.525 . . . . 10.0 112.971 -173.776 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.6 mtt . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 118.448 -0.787 . . . . 10.0 109.291 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.2 t -148.51 14.31 0.97 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.079 0.952 . . . . 10.0 113.262 170.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 57.5 mt -73.2 -176.31 2.13 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-O 122.036 0.922 . . . . 10.0 111.335 168.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -132.02 168.26 18.24 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 126.565 1.946 . . . . 10.0 111.024 -173.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.6 mmtt -65.02 106.91 1.36 Allowed 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 104.715 -2.328 . . . . 10.0 104.715 164.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 80.6 mt -74.84 105.87 6.1 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 121.054 0.454 . . . . 10.0 110.384 -168.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.5 p -103.57 177.04 4.95 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.647 1.579 . . . . 10.0 110.71 176.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -49.06 -37.71 21.91 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.855 0.862 . . . . 10.0 111.597 169.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.49 -46.44 85.29 Favored Glycine 0 CA--C 1.531 1.047 0 CA-C-N 118.491 0.587 . . . . 10.0 113.424 176.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.98 -38.78 86.66 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 117.725 0.762 . . . . 10.0 110.864 178.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.7 mp -64.49 -38.96 92.85 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 114.244 1.201 . . . . 10.0 114.244 169.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -67.13 -40.53 86.8 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 119.326 0.966 . . . . 10.0 111.697 172.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -63.5 -44.17 95.1 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 118.907 0.776 . . . . 10.0 111.654 174.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.2 mt -64.99 -45.41 94.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 O-C-N 121.64 -0.662 . . . . 10.0 110.727 175.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.6 m -63.2 -38.11 89.9 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.886 -0.509 . . . . 10.0 111.443 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.9 m -66.9 -43.91 82.19 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.545 1.138 . . . . 10.0 111.565 173.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -60.11 -41.82 93.41 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.371 0.668 . . . . 10.0 111.74 175.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 81.9 mt -63.96 -49.87 70.85 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 118.135 -0.936 . . . . 10.0 111.779 174.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -55.39 -49.97 70.94 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 119.618 1.099 . . . . 10.0 112.24 173.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -62.99 -38.39 90.99 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 109.806 -0.442 . . . . 10.0 109.806 -176.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.5 m -61.05 -47.27 87.16 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.321 0.648 . . . . 10.0 111.554 176.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 56.7 mt -65.68 -48.29 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 CA-C-N 119.029 0.831 . . . . 10.0 110.553 176.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.8 m -61.26 -44.48 97.17 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.207 0.603 . . . . 10.0 111.961 -177.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -68.41 -38.68 81.49 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 118.671 -0.681 . . . . 10.0 111.837 174.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -60.24 -43.81 95.76 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 119.692 1.133 . . . . 10.0 111.367 173.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 27.4 mt -59.92 -52.5 60.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 C-N-CA 124.272 1.029 . . . . 10.0 109.709 175.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -61.14 -26.43 67.68 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.515 0.932 . . . . 10.0 113.515 177.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -82.38 -17.57 45.06 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 114.006 1.113 . . . . 10.0 114.006 173.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -104.01 -30.72 10.1 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 117.713 -1.136 . . . . 10.0 113.645 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.4 t -143.83 144.29 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.909 1.284 . . . . 10.0 110.063 178.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.4 t -74.53 136.24 42.17 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.67 -0.644 . . . . 10.0 112.677 178.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.44 -25.06 5.69 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.695 0.798 . . . . 10.0 112.394 167.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.3 tttm -65.7 -11.5 45.74 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.613 1.338 . . . . 10.0 114.613 175.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -124.71 9.52 8.3 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.164 0.985 . . . . 10.0 112.744 171.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.6 mt -102.61 126.62 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 C-N-CA 124.711 1.204 . . . . 10.0 108.088 172.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.7 t -70.84 -52.71 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 C-N-CA 124.384 1.073 . . . . 10.0 109.855 171.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -164.17 177.15 8.6 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.987 0.915 . . . . 10.0 112.343 178.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.9 pt -137.61 142.99 35.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.565 1.546 . . . . 10.0 111.632 170.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -113.81 118.67 34.91 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 124.995 1.318 . . . . 10.0 108.492 168.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.9 mt -131.27 121.65 49.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 N-CA-C 108.446 -0.946 . . . . 10.0 108.446 175.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 52.1 m -119.72 119.16 32.85 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 126.178 1.791 . . . . 10.0 108.466 176.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.0 t -115.55 120.65 65.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 N-CA-C 107.935 -1.135 . . . . 10.0 107.935 172.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 mp -117.85 139.26 51.35 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 125.378 1.471 . . . . 10.0 109.246 178.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.3 p -134.33 138.0 50.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 C-N-CA 123.947 0.899 . . . . 10.0 108.725 177.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -145.75 157.53 43.93 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.759 1.223 . . . . 10.0 110.637 -167.047 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -148.54 99.54 3.02 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.578 -0.701 . . . . 10.0 109.998 175.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.3 p -131.03 80.9 1.96 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.248 1.419 . . . . 10.0 109.247 -179.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.2 t70 64.92 -35.33 0.18 Allowed 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 127.491 2.317 . . . . 10.0 113.355 -168.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -108.04 149.57 28.26 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.619 1.968 . . . . 10.0 108.993 168.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.9 tt -85.24 127.51 34.33 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 107.631 -1.248 . . . . 10.0 107.631 171.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.1 tptt -129.89 146.51 51.61 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.492 0.663 . . . . 10.0 111.443 -178.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.8 p -136.17 145.57 30.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 124.735 1.214 . . . . 10.0 108.006 169.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -130.41 136.26 48.86 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 126.01 1.724 . . . . 10.0 108.19 175.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 21.8 mt -132.25 110.17 16.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 N-CA-C 107.41 -1.33 . . . . 10.0 107.41 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.0 t -117.97 122.11 42.39 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 108.436 -0.95 . . . . 10.0 108.436 175.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.28 138.35 49.24 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.073 0.949 . . . . 10.0 110.099 179.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -140.51 143.8 35.63 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.839 1.256 . . . . 10.0 109.818 172.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.12 127.46 43.06 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 125.353 1.461 . . . . 10.0 109.916 -171.449 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -107.71 102.93 12.11 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 107.994 -1.113 . . . . 10.0 107.994 -175.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.0 mt -86.91 151.94 22.87 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.583 1.153 . . . . 10.0 112.139 178.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -60.48 146.97 42.85 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 115.81 -0.632 . . . . 10.0 111.614 169.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -65.0 -8.13 14.65 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.508 1.299 . . . . 10.0 114.508 -178.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.25 11.99 9.46 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.139 1.776 . . . . 10.0 112.704 177.071 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 78.4 p -59.8 169.74 1.33 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.401 1.88 . . . . 10.0 113.734 169.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -148.67 94.74 2.32 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 122.16 0.981 . . . . 10.0 110.616 177.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -142.63 170.29 15.97 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.791 1.636 . . . . 10.0 112.813 -174.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -85.7 142.32 36.93 Favored Pre-proline 0 CA--C 1.55 0.963 0 N-CA-C 113.254 0.835 . . . . 10.0 113.254 -169.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -74.83 57.02 4.33 Favored 'Trans proline' 0 CA--C 1.547 1.158 1 C-N-CA 125.833 4.356 . . . . 10.0 112.988 -176.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 172.35 -5.24 0.03 OUTLIER Glycine 0 CA--C 1.539 1.547 0 C-N-CA 126.277 1.894 . . . . 10.0 115.18 -176.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.2 tt -55.69 -20.12 7.59 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 C-N-CA 126.667 1.987 . . . . 10.0 115.741 -172.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 57.9 t -78.66 -53.46 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 125.78 1.632 . . . . 10.0 111.188 175.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -53.01 -36.1 60.12 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.179 1.392 . . . . 10.0 111.373 176.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -63.58 -34.64 78.26 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 122.871 0.468 . . . . 10.0 111.516 173.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.6 -41.2 72.6 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-N 119.024 0.829 . . . . 10.0 111.258 178.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.7 t -67.98 -44.58 84.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 C-N-CA 122.712 0.405 . . . . 10.0 110.378 178.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -59.15 -42.02 89.71 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.749 1.619 . . . . 10.0 111.6 172.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.03 -41.66 99.59 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.658 0.663 . . . . 10.0 111.845 173.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.09 -42.65 99.43 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 119.105 0.866 . . . . 10.0 112.37 172.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -63.59 -43.34 97.24 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.066 0.848 . . . . 10.0 112.323 176.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 73.0 mtt-85 -68.18 -39.26 82.56 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 118.784 0.72 . . . . 10.0 111.686 176.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.0 t -65.84 -29.66 70.16 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-O 117.526 -1.226 . . . . 10.0 112.448 174.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 33.0 tp -69.59 -43.58 72.52 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 119.91 1.232 . . . . 10.0 111.387 172.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -60.33 -41.51 93.73 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 118.26 0.482 . . . . 10.0 110.977 173.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.1 t -71.85 -30.17 65.17 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.303 0.853 . . . . 10.0 113.303 177.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -68.81 -42.23 77.54 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.161 0.985 . . . . 10.0 110.611 174.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.9 mt -74.9 -34.31 62.16 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 118.685 0.675 . . . . 10.0 112.389 177.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -58.6 -34.66 71.37 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 167.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -69.8 -11.25 65.77 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 123.904 0.764 . . . . 10.0 114.224 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -131.65 0.13 3.95 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 114.505 1.298 . . . . 10.0 114.505 -173.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 78.8 mtm180 -139.11 -42.27 0.47 Allowed 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 117.154 -1.403 . . . . 10.0 113.308 176.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 . . . . . 0 C--O 1.256 1.403 0 O-C-N 125.787 1.93 . . . . 10.0 110.518 -167.529 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 m -71.12 56.25 0.21 Allowed 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.03 1.732 . . . . 10.0 113.575 -176.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 84.1 mt -116.41 155.43 28.54 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.899 1.28 . . . . 10.0 112.488 -168.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 32.3 ttp180 -152.36 172.56 16.29 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.227 1.411 . . . . 10.0 110.173 -169.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -59.58 116.54 4.08 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.962 0.905 . . . . 10.0 109.885 174.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 65.9 mt -74.87 127.98 34.48 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 122.835 0.454 . . . . 10.0 110.751 -177.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.5 t -157.17 -168.05 2.51 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 125.478 1.511 . . . . 10.0 109.977 -176.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -69.04 36.63 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 129.706 3.202 . . . . 10.0 113.349 -177.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.15 -45.26 0.02 OUTLIER Glycine 0 CA--C 1.528 0.85 0 C-N-CA 126.654 2.073 . . . . 10.0 110.729 169.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.14 -35.05 73.79 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.707 1.203 . . . . 10.0 113.104 176.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.1 mt -67.43 -42.45 83.13 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.131 -0.981 . . . . 10.0 110.676 172.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.54 -39.87 92.63 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.01 1.324 . . . . 10.0 111.587 172.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -59.65 -43.96 93.71 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.241 1.016 . . . . 10.0 111.495 171.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.5 mt -64.93 -47.87 86.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-N 119.47 1.032 . . . . 10.0 110.945 176.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.51 -41.2 93.85 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.148 0.886 . . . . 10.0 111.281 175.024 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.8 t -60.9 -43.75 98.07 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.126 -0.984 . . . . 10.0 112.329 174.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -62.13 -41.67 98.48 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.734 1.214 . . . . 10.0 111.983 175.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.5 mt -65.12 -47.38 77.37 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.204 0.602 . . . . 10.0 111.705 173.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.7 t-160 -59.11 -46.85 87.26 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.434 0.694 . . . . 10.0 111.389 176.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -60.6 -41.81 95.53 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.815 0.846 . . . . 10.0 111.574 173.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.0 m -61.01 -44.43 97.43 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 118.617 0.644 . . . . 10.0 110.727 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 72.0 mt -70.58 -43.98 77.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-O 118.509 -0.757 . . . . 10.0 111.444 176.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.51 -51.86 57.42 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 119.123 0.874 . . . . 10.0 110.92 175.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -71.39 -37.44 71.55 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 114.86 -1.064 . . . . 10.0 111.235 -173.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -58.84 -45.88 89.02 Favored 'General case' 0 C--N 1.345 0.385 0 CA-C-O 119.089 -0.482 . . . . 10.0 110.749 169.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.2 mt -63.58 -48.71 85.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-N 119.005 0.821 . . . . 10.0 110.077 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.31 -11.1 13.3 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.151 1.167 . . . . 10.0 114.151 174.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.3 mtpt -111.13 4.78 19.61 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.757 1.623 . . . . 10.0 112.968 174.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -124.56 -25.55 4.0 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.254 1.422 . . . . 10.0 112.795 177.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 23.9 t -144.24 152.43 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 126.284 1.834 . . . . 10.0 109.189 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.9 t -90.2 136.8 32.82 Favored 'General case' 0 N--CA 1.464 0.227 0 O-C-N 121.167 -0.958 . . . . 10.0 112.672 -178.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.42 -24.4 3.05 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.779 1.232 . . . . 10.0 112.323 168.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.91 -31.88 13.37 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.754 1.222 . . . . 10.0 113.897 168.006 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -121.34 -15.82 8.02 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 114.561 1.319 . . . . 10.0 114.561 -178.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 44.7 mm -70.93 105.77 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 N-CA-C 107.961 -1.125 . . . . 10.0 107.961 169.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.4 t -68.97 -49.08 66.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 N-CA-C 109.141 -0.689 . . . . 10.0 109.141 170.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -161.86 177.06 10.2 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 121.398 0.618 . . . . 10.0 112.191 171.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 pp -134.85 143.13 38.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 125.282 1.433 . . . . 10.0 111.23 170.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -112.25 129.61 56.21 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 105.185 -2.154 . . . . 10.0 105.185 165.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 68.5 mt -131.36 124.59 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 N-CA-C 107.84 -1.171 . . . . 10.0 107.84 174.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.6 t -119.77 119.08 32.58 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.529 0.68 . . . . 10.0 109.891 169.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.7 m -115.87 117.25 54.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 C-N-CA 125.54 1.536 . . . . 10.0 108.582 177.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.3 mt -118.02 139.11 51.67 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 125.354 1.461 . . . . 10.0 109.603 -172.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.4 p -139.57 137.41 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 C-N-CA 123.889 0.876 . . . . 10.0 110.403 178.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -149.05 159.85 43.85 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.185 1.794 . . . . 10.0 109.336 -173.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -141.6 105.16 4.69 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 108.228 -1.027 . . . . 10.0 108.228 174.103 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.3 p -131.17 80.97 1.96 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 126.341 1.856 . . . . 10.0 108.686 -173.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.0 t70 65.97 -33.16 0.18 Allowed 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 127.472 2.309 . . . . 10.0 113.479 -168.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -123.19 159.96 27.55 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 127.774 2.43 . . . . 10.0 108.912 169.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.8 tp -84.59 129.07 34.89 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 106.858 -1.534 . . . . 10.0 106.858 175.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -125.97 136.91 53.55 Favored 'General case' 0 CA--C 1.526 0.031 0 C-N-CA 123.831 0.853 . . . . 10.0 109.551 -178.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.7 p -136.35 142.2 39.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 124.852 1.261 . . . . 10.0 108.297 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -140.76 141.07 34.87 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.197 0.599 . . . . 10.0 110.964 176.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 26.4 mt -132.87 129.4 57.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 C-N-CA 124.297 1.039 . . . . 10.0 111.207 -174.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.1 t -128.85 136.6 50.68 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 107.594 -1.261 . . . . 10.0 107.594 164.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.2 138.21 49.29 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.941 -0.763 . . . . 10.0 108.941 170.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -125.1 135.81 53.04 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 124.953 1.301 . . . . 10.0 108.621 -175.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.3 mt -116.8 104.34 11.23 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 125.055 1.342 . . . . 10.0 109.216 -172.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -97.68 102.87 14.73 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 108.036 -1.098 . . . . 10.0 108.036 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -85.17 151.88 23.78 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.149 1.38 . . . . 10.0 111.44 176.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.469 ' C ' ' H ' ' A' ' 63' ' ' LEU . 45.4 t0 -61.93 147.06 48.05 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.337 0.655 . . . . 10.0 111.603 169.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -71.06 20.0 0.05 OUTLIER 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.875 1.67 . . . . 10.0 113.363 -179.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.469 ' H ' ' C ' ' A' ' 61' ' ' ASP . 14.4 mt -144.75 17.42 1.63 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 129.647 3.179 . . . . 10.0 111.037 -174.273 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.6 m -154.03 146.15 23.71 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 119.971 -1.705 . . . . 10.0 111.65 172.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -137.76 94.6 2.92 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.462 1.105 . . . . 10.0 109.438 -167.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.91 -176.74 4.06 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 124.821 1.249 . . . . 10.0 111.642 169.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -85.58 144.08 39.54 Favored Pre-proline 0 CA--C 1.546 0.815 0 O-C-N 120.67 -1.268 . . . . 10.0 112.216 -169.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -75.28 60.37 5.62 Favored 'Trans proline' 0 CA--C 1.543 0.96 0 C-N-CA 125.197 3.931 . . . . 10.0 112.702 -175.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.16 -3.43 0.03 OUTLIER Glycine 0 CA--C 1.534 1.272 0 N-CA-C 116.637 1.415 . . . . 10.0 116.637 -178.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 78.0 mt -59.56 -26.15 33.69 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 CA-C-N 120.18 1.99 . . . . 10.0 113.111 -176.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.02 -53.27 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 123.621 0.768 . . . . 10.0 110.826 169.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -58.45 -41.0 84.17 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.738 0.815 . . . . 10.0 110.404 177.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -63.75 -41.38 98.02 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 122.477 0.311 . . . . 10.0 111.277 174.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.06 -44.49 72.5 Favored 'General case' 0 C--N 1.344 0.339 0 O-C-N 121.752 -0.593 . . . . 10.0 111.661 -177.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.429 HG11 ' CE2' ' A' ' 79' ' ' TYR . 22.0 t -76.17 -33.74 24.85 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-O 118.006 -0.997 . . . . 10.0 110.187 -176.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -58.73 -43.04 90.07 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 120.558 1.526 . . . . 10.0 111.481 167.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.01 -41.87 99.68 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 122.016 -0.427 . . . . 10.0 110.966 176.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.58 -44.87 92.81 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 118.713 -0.661 . . . . 10.0 112.746 172.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.429 ' CE2' HG11 ' A' ' 75' ' ' VAL . 29.7 m-85 -63.82 -43.54 95.92 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 119.523 1.056 . . . . 10.0 111.73 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 40.6 mtm180 -72.47 -34.42 67.71 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 118.512 0.596 . . . . 10.0 111.961 178.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.6 t -66.45 -25.84 66.92 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 118.172 -0.918 . . . . 10.0 112.95 169.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 25.2 tp -80.82 -37.73 29.57 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 119.181 0.901 . . . . 10.0 111.903 174.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -59.07 -41.12 87.2 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.544 1.066 . . . . 10.0 110.698 169.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.5 t -62.76 -27.66 69.44 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.118 0.967 . . . . 10.0 113.35 173.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -81.06 -42.26 21.32 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.61 1.164 . . . . 10.0 112.446 174.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -70.61 -15.8 62.78 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.648 1.579 . . . . 10.0 113.725 178.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -49.98 -13.32 0.1 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 127.864 2.466 . . . . 10.0 114.565 169.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -119.93 15.35 10.34 Favored Glycine 0 CA--C 1.536 1.36 0 CA-C-N 119.104 0.866 . . . . 10.0 114.715 171.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -125.8 -34.9 2.56 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.323 1.449 . . . . 10.0 113.035 -178.429 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 61.1 mtp85 -106.16 -18.53 13.99 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.422 0.689 . . . . 10.0 112.705 174.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.1 mp0 . . . . . 0 C--O 1.255 1.367 0 C-N-CA 127.117 2.167 . . . . 10.0 110.957 -178.838 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.479 1.01 0 CA-C-O 117.483 -1.246 . . . . 10.0 108.751 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.2 m 63.41 173.64 0.16 Allowed 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.959 1.304 . . . . 10.0 113.863 -175.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.9 mp -67.62 166.9 14.09 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.521 1.128 . . . . 10.0 110.779 168.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.12 177.49 5.7 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 121.266 0.555 . . . . 10.0 110.506 170.221 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.482 ' O ' ' HE2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -49.8 115.5 1.4 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.636 1.174 . . . . 10.0 109.3 166.427 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.1 mt -82.27 115.78 21.49 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.391 -0.818 . . . . 10.0 110.423 -173.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.4 t -153.64 -170.31 3.55 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.653 1.181 . . . . 10.0 110.521 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -58.29 24.54 0.0 OUTLIER 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 131.318 3.847 . . . . 10.0 115.967 -178.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.14 -54.9 0.03 OUTLIER Glycine 0 CA--C 1.524 0.6 0 C-N-CA 126.066 1.793 . . . . 10.0 110.004 171.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -67.39 -41.85 84.31 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.778 0.831 . . . . 10.0 112.363 178.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.7 mt -68.93 -34.01 74.66 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.376 -0.828 . . . . 10.0 111.672 170.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -70.15 -35.71 74.23 Favored 'General case' 0 C--O 1.224 -0.247 0 N-CA-C 113.082 0.771 . . . . 10.0 113.082 175.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -54.99 -40.94 70.61 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.229 0.922 . . . . 10.0 110.067 168.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 82.2 mt -67.95 -43.16 85.9 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 CA-C-O 118.611 -0.709 . . . . 10.0 112.164 171.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.7 -42.58 88.92 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 119.9 1.227 . . . . 10.0 111.14 176.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.9 t -67.65 -43.97 79.02 Favored 'General case' 0 N--CA 1.458 -0.07 0 C-N-CA 126.625 1.97 . . . . 10.0 111.24 177.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -59.51 -42.65 92.71 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.679 0.672 . . . . 10.0 111.768 174.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 81.5 mt -67.84 -50.73 55.0 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.16 0.584 . . . . 10.0 111.607 178.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -58.23 -48.47 80.3 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.083 0.553 . . . . 10.0 111.418 176.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -61.24 -38.82 88.05 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 118.898 -0.572 . . . . 10.0 111.82 176.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.5 m -61.19 -47.08 87.79 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.084 0.856 . . . . 10.0 110.846 178.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.9 mt -62.81 -44.69 99.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-N 118.554 0.615 . . . . 10.0 110.413 174.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.5 t -59.67 -51.2 70.83 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.301 0.64 . . . . 10.0 112.538 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -58.45 -38.79 78.26 Favored 'General case' 0 C--N 1.344 0.352 0 N-CA-C 114.265 1.209 . . . . 10.0 114.265 169.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -71.26 -40.43 70.98 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.527 1.058 . . . . 10.0 109.025 -176.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 42.5 mt -59.9 -49.02 85.51 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 124.457 1.103 . . . . 10.0 110.172 171.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -60.93 -24.94 66.41 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.487 1.04 . . . . 10.0 113.604 175.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.9 mttp -97.6 9.38 42.65 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.789 1.636 . . . . 10.0 112.655 175.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -121.79 -39.0 2.67 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.774 1.63 . . . . 10.0 113.534 175.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.5 p -143.84 145.37 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 124.399 1.08 . . . . 10.0 111.679 -175.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.5 t -68.38 112.62 5.35 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.112 0.965 . . . . 10.0 112.058 -177.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.46 -24.87 5.51 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.295 1.438 . . . . 10.0 114.015 170.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -65.38 -8.39 18.32 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.02 1.119 . . . . 10.0 114.02 171.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -117.67 3.18 12.35 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.842 2.057 . . . . 10.0 111.2 176.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.3 mm -100.75 120.95 50.95 Favored 'Isoleucine or valine' 0 C--N 1.34 0.187 0 C-N-CA 125.036 1.334 . . . . 10.0 108.376 177.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.3 t -68.98 -50.44 53.82 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 C-N-CA 124.545 1.138 . . . . 10.0 109.314 171.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -165.34 177.18 7.73 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.852 0.861 . . . . 10.0 112.171 175.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.0 pt -135.89 140.17 44.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 125.036 1.334 . . . . 10.0 111.216 169.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -107.47 121.32 44.37 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 107.311 -1.366 . . . . 10.0 107.311 167.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 79.9 mt -131.09 122.57 51.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 N-CA-C 108.199 -1.038 . . . . 10.0 108.199 172.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 58.3 m -119.79 121.17 38.53 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 125.454 1.502 . . . . 10.0 108.49 176.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.6 t -115.65 123.87 71.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 C-N-CA 124.431 1.092 . . . . 10.0 108.115 171.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 mp -117.73 139.15 51.45 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 125.576 1.55 . . . . 10.0 109.093 175.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.2 p -139.52 131.3 34.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 C-N-CA 123.727 0.811 . . . . 10.0 109.334 175.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -144.68 159.91 42.06 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.186 1.394 . . . . 10.0 110.672 -172.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -141.13 106.27 4.99 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 108.831 -0.803 . . . . 10.0 108.831 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.8 t -131.37 80.88 1.95 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.917 1.287 . . . . 10.0 108.851 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.0 t70 64.79 -44.75 0.32 Allowed 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 127.738 2.415 . . . . 10.0 112.607 -166.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -99.12 153.76 18.65 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.736 2.014 . . . . 10.0 109.674 167.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 57.7 tp -85.32 129.31 34.84 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.42 1.488 . . . . 10.0 109.211 169.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.88 137.23 53.72 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.515 0.726 . . . . 10.0 110.457 174.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.2 p -136.2 132.47 49.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 C-N-CA 125.066 1.346 . . . . 10.0 108.284 172.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -137.3 134.58 36.24 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 124.759 1.224 . . . . 10.0 108.936 -169.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 42.5 mt -132.18 130.44 60.69 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.112 0 N-CA-C 108.172 -1.047 . . . . 10.0 108.172 -171.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.4 m -131.9 130.31 41.45 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 123.664 0.786 . . . . 10.0 109.601 168.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.22 142.01 50.11 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.128 0.971 . . . . 10.0 110.415 176.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -139.51 147.46 41.3 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.018 1.327 . . . . 10.0 110.428 176.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.6 tp -124.47 105.35 9.33 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 126.18 1.792 . . . . 10.0 110.568 -168.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -91.47 102.8 15.47 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 108.512 -0.922 . . . . 10.0 108.512 177.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.3 mt -82.3 151.74 26.61 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 125.676 1.59 . . . . 10.0 111.813 173.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -62.26 133.55 55.3 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 108.42 -0.956 . . . . 10.0 108.42 166.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 pm0 -64.89 -5.85 6.98 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 114.93 1.456 . . . . 10.0 114.93 -175.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.9 tt -92.2 -7.23 48.88 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.407 1.083 . . . . 10.0 113.001 169.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.6 t -105.35 167.89 9.44 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.705 1.139 . . . . 10.0 112.7 179.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -157.58 94.92 1.4 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.921 1.688 . . . . 10.0 109.887 -169.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.93 -173.46 2.98 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.081 1.352 . . . . 10.0 112.42 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -85.3 144.82 41.4 Favored Pre-proline 0 CA--C 1.549 0.905 0 O-C-N 120.631 -1.293 . . . . 10.0 112.002 -168.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -73.64 45.74 1.11 Allowed 'Trans proline' 0 CA--C 1.547 1.161 1 C-N-CA 126.276 4.651 . . . . 10.0 114.803 -169.295 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.16 9.21 0.02 OUTLIER Glycine 0 CA--C 1.538 1.508 0 C-N-CA 127.097 2.284 . . . . 10.0 114.328 176.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 8.4 tt -66.39 -19.24 25.37 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 CA-C-N 119.014 1.407 . . . . 10.0 114.393 -169.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.3 t -83.65 -50.63 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 124.386 1.074 . . . . 10.0 110.053 171.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -55.52 -41.18 72.79 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.81 1.244 . . . . 10.0 111.659 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -64.04 -29.84 70.95 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.191 0.811 . . . . 10.0 113.191 174.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.24 -36.28 74.39 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 118.453 0.57 . . . . 10.0 111.859 172.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.6 t -70.01 -44.46 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-O 119.053 -0.499 . . . . 10.0 110.34 176.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -58.7 -39.2 80.08 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 118.745 0.702 . . . . 10.0 111.365 169.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.75 -43.54 98.53 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 119.095 0.861 . . . . 10.0 110.824 175.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.98 -42.9 91.11 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.394 0.997 . . . . 10.0 112.655 170.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -65.03 -43.3 92.85 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 118.99 0.814 . . . . 10.0 112.887 176.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -72.54 -29.95 64.01 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 119.438 1.017 . . . . 10.0 112.811 178.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.9 m -66.83 -44.71 80.39 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-O 118.145 -0.931 . . . . 10.0 110.343 168.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 32.2 tp -62.31 -40.22 95.58 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 119.628 1.104 . . . . 10.0 112.803 175.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -58.63 -36.4 74.02 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 125.289 1.435 . . . . 10.0 110.754 176.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.0 m -82.52 -35.69 27.07 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.67 1.188 . . . . 10.0 112.584 175.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -58.9 -39.28 81.01 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 125.579 1.552 . . . . 10.0 113.092 -174.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -59.96 -31.18 69.65 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.891 0.7 . . . . 10.0 112.891 178.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -59.95 -33.88 72.51 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 118.816 0.734 . . . . 10.0 110.541 176.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -62.84 -6.33 11.84 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.957 1.265 . . . . 10.0 115.006 176.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -128.72 -1.51 5.4 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.145 1.378 . . . . 10.0 113.124 178.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.2 mtp85 -145.59 -49.78 0.23 Allowed 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 114.65 1.352 . . . . 10.0 114.65 -168.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 . . . . . 0 C--O 1.258 1.52 0 O-C-N 125.438 1.711 . . . . 10.0 111.311 -165.268 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 118.617 -0.706 . . . . 10.0 109.758 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.6 t -156.02 111.46 2.97 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.125 0.97 . . . . 10.0 108.663 171.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.7 mt -86.23 165.61 16.36 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.697 0.799 . . . . 10.0 111.351 -177.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 -143.74 167.04 23.21 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.376 1.071 . . . . 10.0 112.298 -167.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.8 mptt -66.29 116.81 7.74 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 105.468 -2.049 . . . . 10.0 105.468 165.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 90.7 mt -74.83 125.63 29.2 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 121.275 0.56 . . . . 10.0 111.425 -169.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.8 p -124.78 178.57 5.4 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 126.969 2.108 . . . . 10.0 110.18 178.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -49.42 -36.24 21.63 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.817 0.847 . . . . 10.0 112.465 170.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.2 -41.83 68.33 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-N 118.309 0.504 . . . . 10.0 113.023 177.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -70.06 -39.23 75.79 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 117.891 0.845 . . . . 10.0 111.152 177.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.9 mp -64.09 -38.76 92.23 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 113.574 0.953 . . . . 10.0 113.574 169.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -63.92 -46.02 86.67 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.221 0.918 . . . . 10.0 111.389 170.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -62.21 -39.36 92.52 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 119.147 0.885 . . . . 10.0 113.093 175.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 52.3 mt -64.86 -44.52 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-N 119.542 1.065 . . . . 10.0 110.088 172.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.7 m -63.25 -41.07 99.01 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.066 0.546 . . . . 10.0 111.474 179.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.5 t -63.49 -43.98 95.68 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.409 1.883 . . . . 10.0 112.098 172.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -61.22 -42.46 98.64 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 124.07 0.948 . . . . 10.0 111.755 175.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.8 mt -67.86 -47.47 68.83 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.355 0.662 . . . . 10.0 111.575 176.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -56.02 -49.08 74.68 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.209 0.604 . . . . 10.0 111.487 174.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -60.69 -41.45 95.19 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 122.692 0.397 . . . . 10.0 111.706 176.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.8 m -61.09 -46.28 91.28 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.459 0.704 . . . . 10.0 111.164 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 64.0 mt -63.94 -44.47 97.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 CA-C-N 118.249 0.477 . . . . 10.0 110.502 174.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.7 t -58.92 -51.01 71.85 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.279 0.632 . . . . 10.0 112.221 178.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -59.56 -38.76 81.97 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 113.344 0.868 . . . . 10.0 113.344 171.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -64.17 -45.68 87.33 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 119.677 1.126 . . . . 10.0 110.944 178.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 82.3 mt -62.03 -52.75 56.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 123.627 0.771 . . . . 10.0 109.533 176.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.3 mp -63.76 -9.36 14.05 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 114.636 1.347 . . . . 10.0 114.636 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -115.45 4.23 14.26 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.773 1.229 . . . . 10.0 112.49 177.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.2 ttt-85 -123.39 -15.57 7.11 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.903 1.281 . . . . 10.0 113.62 170.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.2 t -142.02 149.73 19.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 127.706 2.403 . . . . 10.0 107.616 175.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.8 t -97.97 136.2 38.6 Favored 'General case' 0 N--CA 1.464 0.261 0 O-C-N 121.011 -1.056 . . . . 10.0 112.226 -173.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.71 -24.65 3.55 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.711 1.604 . . . . 10.0 114.468 177.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -61.84 -24.74 67.09 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 115.183 1.549 . . . . 10.0 115.183 172.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.9 pm0 -110.12 -16.54 13.77 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.121 1.156 . . . . 10.0 114.121 175.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 37.0 mm -72.88 114.45 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 123.81 0.844 . . . . 10.0 108.911 169.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 19.7 t -72.5 -49.96 38.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 109.01 -0.737 . . . . 10.0 109.01 168.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -163.86 177.0 8.94 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.454 0.702 . . . . 10.0 112.492 172.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.0 pt -137.11 143.03 35.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 C-N-CA 125.525 1.53 . . . . 10.0 109.886 170.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -127.54 119.5 26.16 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 123.774 0.83 . . . . 10.0 109.193 176.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.6 mt -131.16 126.34 58.96 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.129 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 -173.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 90.3 m -119.76 120.39 36.4 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 125.63 1.572 . . . . 10.0 108.241 176.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.1 t -115.51 126.49 73.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 N-CA-C 107.247 -1.39 . . . . 10.0 107.247 173.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 88.3 mt -117.73 135.62 53.91 Favored 'General case' 0 C--N 1.334 -0.096 0 C-N-CA 124.354 1.062 . . . . 10.0 108.674 178.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.2 p -139.79 132.84 35.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 C-N-CA 123.856 0.862 . . . . 10.0 110.447 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -144.8 159.95 42.04 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.716 1.606 . . . . 10.0 110.973 -173.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -137.41 99.77 4.05 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.457 0.703 . . . . 10.0 109.205 174.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.9 p -131.27 80.57 1.94 Allowed 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 108.05 -1.093 . . . . 10.0 108.05 -178.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.0 t70 62.73 -41.17 0.17 Allowed 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 127.31 2.244 . . . . 10.0 113.063 -167.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -98.31 144.42 27.74 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.972 2.509 . . . . 10.0 109.181 168.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.8 tp -85.25 118.91 25.08 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 105.918 -1.882 . . . . 10.0 105.918 167.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.1 tttp -131.14 132.8 45.04 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 121.155 0.503 . . . . 10.0 110.441 -170.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.3 p -136.26 141.94 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 C-N-CA 124.981 1.312 . . . . 10.0 109.33 -177.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -137.02 145.58 44.24 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.374 1.07 . . . . 10.0 110.533 175.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.3 mt -132.41 121.79 46.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 125.419 1.488 . . . . 10.0 108.838 -172.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.6 t -129.2 127.92 42.28 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 124.002 0.921 . . . . 10.0 109.433 174.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.24 139.46 49.66 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.334 1.054 . . . . 10.0 110.693 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -128.02 143.44 51.08 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 125.962 1.705 . . . . 10.0 109.441 176.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 68.2 tp -128.07 104.3 7.7 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.943 1.697 . . . . 10.0 111.632 -166.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -97.63 104.53 16.57 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 121.311 0.577 . . . . 10.0 110.842 -178.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -82.37 152.15 26.34 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 125.187 1.395 . . . . 10.0 111.276 168.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -56.63 147.4 22.61 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 115.056 -0.975 . . . . 10.0 111.845 168.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.89 6.85 0.2 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.82 2.048 . . . . 10.0 114.116 -176.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.33 7.81 9.06 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.309 2.243 . . . . 10.0 112.427 175.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.7 m -132.03 156.39 46.34 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.746 1.618 . . . . 10.0 112.45 -174.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -154.99 94.92 1.69 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.542 1.137 . . . . 10.0 109.628 -171.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.2 169.6 15.79 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.869 1.268 . . . . 10.0 112.727 175.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -85.32 140.43 36.46 Favored Pre-proline 0 CA--C 1.548 0.9 0 O-C-N 120.717 -1.239 . . . . 10.0 111.822 -169.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -72.25 69.14 3.3 Favored 'Trans proline' 0 C--N 1.356 0.928 1 C-N-CA 125.482 4.122 . . . . 10.0 112.152 -176.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.03 -15.95 0.03 OUTLIER Glycine 0 CA--C 1.534 1.235 0 C-N-CA 126.321 1.915 . . . . 10.0 113.952 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.1 mt -61.35 -38.64 80.38 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-N 119.751 1.775 . . . . 10.0 112.828 -177.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 86.8 t -66.85 -50.48 64.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 123.79 0.836 . . . . 10.0 110.174 175.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.42 -45.2 72.93 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.225 1.81 . . . . 10.0 110.964 176.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -63.87 -39.61 94.61 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.936 0.895 . . . . 10.0 111.958 172.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.38 -43.35 86.14 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.873 1.215 . . . . 10.0 111.346 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 48.3 t -66.71 -45.96 86.88 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 125.497 1.519 . . . . 10.0 110.804 177.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -58.79 -40.48 84.14 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.161 1.384 . . . . 10.0 112.653 170.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.97 -39.36 93.37 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.038 -1.039 . . . . 10.0 111.849 174.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.28 -43.07 98.98 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 118.966 -0.54 . . . . 10.0 111.906 170.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -63.02 -43.18 99.43 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.26 0.936 . . . . 10.0 112.767 175.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 76.9 mtt-85 -63.68 -40.94 98.05 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.109 0.868 . . . . 10.0 111.309 175.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.0 m -63.17 -36.51 83.87 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 123.586 0.754 . . . . 10.0 111.5 175.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.3 tp -70.51 -45.31 65.84 Favored 'General case' 0 C--N 1.34 0.189 0 C-N-CA 123.449 0.7 . . . . 10.0 112.539 174.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -59.01 -41.19 87.11 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.315 0.961 . . . . 10.0 110.835 178.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . 0.311 26.6 m -74.24 -17.79 60.83 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 115.637 1.717 . . . . 10.0 115.637 173.146 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -65.64 -41.11 93.0 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.238 0.926 . . . . 10.0 108.98 165.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -76.84 -22.75 53.1 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 116.999 -1.476 . . . . 10.0 114.506 174.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -51.78 -29.57 19.51 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 120.502 1.501 . . . . 10.0 110.545 168.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -84.88 -14.84 68.91 Favored Glycine 0 CA--C 1.534 1.28 0 O-C-N 121.113 -0.992 . . . . 10.0 114.299 177.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -89.73 -19.01 25.29 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.646 1.178 . . . . 10.0 112.952 177.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.7 mtt-85 -137.63 -70.66 0.44 Allowed 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 118.547 -0.739 . . . . 10.0 111.444 -170.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 . . . . . 0 C--O 1.25 1.116 0 C-N-CA 128.154 2.582 . . . . 10.0 109.103 -174.235 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 107.309 -1.367 . . . . 10.0 107.309 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t 52.95 -162.58 0.1 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.884 0.873 . . . . 10.0 111.702 -166.809 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -128.97 -169.41 2.08 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.263 1.425 . . . . 10.0 113.037 -169.881 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.7 ttt-85 -123.67 165.58 16.99 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.771 2.028 . . . . 10.0 109.182 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 51.8 mmtt -48.83 113.35 0.76 Allowed 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.442 1.097 . . . . 10.0 110.088 169.899 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 74.4 mt -74.96 106.01 6.26 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 121.134 0.492 . . . . 10.0 109.874 179.843 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.8 t -130.99 173.87 10.57 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 126.238 1.815 . . . . 10.0 106.765 171.308 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -43.3 -35.88 1.64 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 128.186 2.594 . . . . 10.0 113.624 -173.089 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.28 -57.65 11.18 Favored Glycine 0 CA--C 1.533 1.203 0 CA-C-N 119.041 0.837 . . . . 10.0 114.091 173.394 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.85 -38.9 89.97 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.204 1.402 . . . . 10.0 111.267 178.234 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.0 mt -69.44 -40.76 77.01 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.388 1.075 . . . . 10.0 111.875 176.633 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -59.88 -45.76 91.48 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 119.122 0.874 . . . . 10.0 111.013 169.771 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -62.7 -37.83 88.02 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.048 0.84 . . . . 10.0 112.568 176.196 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.3 mt -64.87 -39.23 84.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 O-C-N 120.549 -1.345 . . . . 10.0 110.78 172.015 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.4 p -59.53 -40.83 88.48 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.31 -0.869 . . . . 10.0 112.08 170.483 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.44 -43.87 97.79 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 125.257 1.423 . . . . 10.0 110.981 174.243 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -58.96 -42.62 90.32 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.674 0.79 . . . . 10.0 111.812 174.583 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 93.6 mt -67.24 -47.66 70.11 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 118.551 0.614 . . . . 10.0 112.219 176.46 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -60.88 -44.16 97.46 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.343 0.657 . . . . 10.0 111.826 178.108 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -63.91 -40.22 95.98 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 118.353 -0.832 . . . . 10.0 111.558 172.121 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.0 m -60.94 -46.67 89.78 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.886 1.221 . . . . 10.0 111.764 -179.402 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 29.6 mt -64.31 -44.29 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-N 118.435 0.561 . . . . 10.0 110.44 174.235 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.0 m -59.36 -50.56 73.51 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.534 0.734 . . . . 10.0 112.055 -179.123 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -58.79 -38.78 79.31 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 114.812 1.412 . . . . 10.0 114.812 170.86 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.477 ' CE1' ' HD2' ' A' ' 29' ' ' ARG . 24.9 t80 -65.25 -45.83 82.99 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.385 0.993 . . . . 10.0 110.431 176.649 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.9 mt -59.94 -51.74 69.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 124.199 1.0 . . . . 10.0 109.724 176.631 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.08 -8.96 13.6 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 114.554 1.316 . . . . 10.0 114.554 177.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.5 mtmm -112.9 8.17 18.54 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.869 1.268 . . . . 10.0 112.736 171.639 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.477 ' HD2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -117.14 -34.79 4.25 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.854 1.662 . . . . 10.0 113.579 170.306 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.2 p -145.84 146.21 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 125.266 1.427 . . . . 10.0 110.045 -175.376 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.8 t -81.15 136.49 35.89 Favored 'General case' 0 N--CA 1.462 0.146 0 O-C-N 121.517 -0.739 . . . . 10.0 111.017 -179.56 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.95 -24.84 3.96 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.788 1.235 . . . . 10.0 112.917 168.774 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -64.52 -15.22 60.54 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 114.771 1.397 . . . . 10.0 114.771 171.251 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -99.78 -12.99 19.45 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.321 1.848 . . . . 10.0 111.431 175.826 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.5 mm -98.08 127.42 50.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 C-N-CA 126.0 1.72 . . . . 10.0 109.462 -173.149 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.5 t -75.34 -52.45 18.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 C-N-CA 123.824 0.85 . . . . 10.0 108.763 168.904 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -165.51 177.15 7.61 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.258 1.023 . . . . 10.0 111.741 173.408 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 21.4 pt -135.84 143.08 37.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 125.039 1.336 . . . . 10.0 111.254 171.885 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -112.44 119.98 40.07 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 108.103 -1.073 . . . . 10.0 108.103 168.652 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.0 mt -131.11 113.23 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 108.458 -0.942 . . . . 10.0 108.458 173.899 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.5 m -119.75 117.75 29.05 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 124.923 1.289 . . . . 10.0 108.503 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.7 m -115.69 122.13 68.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 C-N-CA 125.917 1.687 . . . . 10.0 109.407 -176.596 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -117.73 139.34 51.18 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 125.089 1.356 . . . . 10.0 109.148 -177.831 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.3 p -131.95 140.44 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 123.47 0.708 . . . . 10.0 109.537 176.854 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -145.99 152.79 39.94 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.678 1.191 . . . . 10.0 110.235 -169.07 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -145.16 99.57 3.34 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.215 0.606 . . . . 10.0 109.775 174.804 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.412 ' C ' ' H ' ' A' ' 49' ' ' GLU . 31.0 m -131.18 92.61 3.22 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.883 1.273 . . . . 10.0 107.62 179.818 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.3 t70 63.05 -27.28 0.07 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 127.263 2.225 . . . . 10.0 114.551 -169.226 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.412 ' H ' ' C ' ' A' ' 47' ' ' THR . 0.0 OUTLIER -140.8 159.95 41.11 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 127.702 2.401 . . . . 10.0 110.389 172.21 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 36.3 tp -85.0 129.36 34.81 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.736 2.014 . . . . 10.0 109.894 -178.241 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.462 ' HZ1' ' CG ' ' A' ' 53' ' ' ASP . 9.6 ttpp -131.03 147.57 52.64 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.525 0.678 . . . . 10.0 110.79 170.821 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.2 p -136.1 135.84 49.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 124.672 1.189 . . . . 10.0 107.998 169.811 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.462 ' CG ' ' HZ1' ' A' ' 51' ' ' LYS . 16.2 m-20 -122.59 138.75 54.49 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 125.468 1.507 . . . . 10.0 108.349 -177.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.6 mt -131.61 110.55 17.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 N-CA-C 107.167 -1.42 . . . . 10.0 107.167 -172.115 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.0 m -109.47 122.14 46.73 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 108.017 -1.105 . . . . 10.0 108.017 173.227 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.19 141.83 50.11 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.405 0.682 . . . . 10.0 110.252 175.048 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.69 145.87 45.23 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 125.91 1.684 . . . . 10.0 109.564 177.158 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 23.5 tp -127.96 104.17 7.65 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 125.424 1.49 . . . . 10.0 109.59 -169.132 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -94.95 102.61 14.45 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 108.07 -1.085 . . . . 10.0 108.07 179.174 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.1 mt -83.63 151.82 25.12 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 126.722 2.009 . . . . 10.0 111.321 174.589 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -68.16 142.29 55.78 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 111.636 0.236 . . . . 10.0 111.636 171.358 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -71.79 34.69 0.06 Allowed 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 129.529 3.132 . . . . 10.0 113.124 -174.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.1 tt -162.2 -23.72 0.05 OUTLIER 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 128.923 2.889 . . . . 10.0 111.761 -169.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 85.9 p -65.93 165.9 12.31 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.805 1.642 . . . . 10.0 113.613 169.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -146.17 94.89 2.53 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.88 1.672 . . . . 10.0 108.837 179.514 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -112.65 177.08 4.76 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.636 1.574 . . . . 10.0 111.61 175.71 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -85.54 146.06 43.42 Favored Pre-proline 0 CA--C 1.547 0.861 0 N-CA-C 113.705 1.002 . . . . 10.0 113.705 -167.643 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -74.8 44.03 1.05 Allowed 'Trans proline' 0 CA--C 1.548 1.189 1 C-N-CA 126.079 4.52 . . . . 10.0 114.408 -170.79 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.07 16.69 0.03 OUTLIER Glycine 0 CA--C 1.538 1.504 0 C-N-CA 126.74 2.114 . . . . 10.0 113.901 174.52 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 8.0 tt -66.05 -29.05 45.57 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 N-CA-C 114.819 1.415 . . . . 10.0 114.819 -167.924 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.6 p -86.18 -35.78 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 123.831 0.852 . . . . 10.0 112.178 169.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.89 -38.73 70.58 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.746 1.218 . . . . 10.0 111.182 174.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -63.85 -39.03 93.24 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 118.655 -0.688 . . . . 10.0 111.988 169.88 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.76 -42.62 90.66 Favored 'General case' 0 C--N 1.343 0.296 0 CA-C-N 119.711 1.141 . . . . 10.0 111.793 178.13 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.3 t -68.25 -47.46 77.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-O 118.611 -0.709 . . . . 10.0 110.415 178.168 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -59.55 -37.25 77.92 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.769 1.168 . . . . 10.0 112.847 172.518 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.89 -41.71 99.52 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.924 1.238 . . . . 10.0 111.519 174.123 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.65 97.07 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 118.582 -0.723 . . . . 10.0 111.884 169.766 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -65.04 -43.28 92.88 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 117.782 -1.104 . . . . 10.0 112.866 176.173 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.6 -41.45 96.2 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 120.135 1.334 . . . . 10.0 110.846 174.935 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.8 t -63.13 -48.21 79.45 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-O 118.695 -0.669 . . . . 10.0 110.442 178.306 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -61.21 -44.01 97.96 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.429 1.091 . . . . 10.0 112.112 176.179 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -58.92 -41.03 86.32 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.495 1.518 . . . . 10.0 112.023 177.394 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 51.9 m -79.08 -26.75 42.98 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.911 1.078 . . . . 10.0 113.911 170.852 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -65.64 -42.32 91.58 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 120.703 -1.248 . . . . 10.0 112.317 -176.025 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -73.36 -34.25 65.51 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.528 1.058 . . . . 10.0 111.65 178.783 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -58.62 -39.61 80.96 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.164 0.586 . . . . 10.0 109.733 168.902 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -69.91 -5.98 54.42 Favored Glycine 0 CA--C 1.535 1.306 0 CA-C-O 118.477 -1.179 . . . . 10.0 115.344 179.013 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -132.01 -19.34 2.57 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 115.839 1.792 . . . . 10.0 115.839 -177.244 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.84 -12.26 3.34 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-O 116.763 -1.589 . . . . 10.0 115.265 170.68 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 . . . . . 0 C--O 1.26 1.633 0 CA-C-O 116.527 -1.701 . . . . 10.0 109.938 -166.955 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.0 mmt . . . . . 0 N--CA 1.478 0.971 0 CA-C-O 118.245 -0.883 . . . . 10.0 108.92 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m 61.72 165.85 0.1 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.766 1.626 . . . . 10.0 114.249 -171.574 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.27 179.17 6.18 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.092 1.757 . . . . 10.0 111.399 -172.755 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -86.49 166.19 15.69 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.992 0.917 . . . . 10.0 110.783 179.308 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -64.87 111.9 3.03 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 108.681 -0.859 . . . . 10.0 108.681 173.129 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 76.6 mt -74.57 119.08 18.27 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 123.735 0.647 . . . . 10.0 111.03 -167.853 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.9 t -138.82 -168.15 2.36 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.43 1.492 . . . . 10.0 109.883 171.888 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -47.19 -42.02 19.16 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.85 1.66 . . . . 10.0 112.854 -176.794 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.38 -48.52 68.2 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 123.736 0.684 . . . . 10.0 113.599 179.084 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.29 -40.76 94.27 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 118.481 1.14 . . . . 10.0 111.049 178.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mp -65.14 -43.5 91.69 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.732 0.813 . . . . 10.0 112.377 174.854 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -64.16 -37.1 86.24 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.11 0.868 . . . . 10.0 112.313 172.07 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -65.75 -44.05 87.08 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 118.985 0.811 . . . . 10.0 111.965 174.118 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.6 mt -64.92 -48.11 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-N 119.158 0.89 . . . . 10.0 110.201 175.016 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.8 m -59.37 -38.15 79.73 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.944 0.793 . . . . 10.0 112.226 175.732 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.1 m -65.64 -43.55 89.11 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.916 0.886 . . . . 10.0 112.164 172.831 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -58.65 -41.39 85.96 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.488 0.715 . . . . 10.0 111.794 173.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.5 mt -65.77 -48.36 72.08 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.41 0.684 . . . . 10.0 111.829 175.003 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -57.49 -44.77 85.22 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.222 0.609 . . . . 10.0 112.027 175.584 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -64.47 -41.23 96.62 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.452 0.701 . . . . 10.0 111.757 174.59 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.8 m -61.19 -47.2 87.25 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.654 0.782 . . . . 10.0 111.279 179.212 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 30.5 mt -65.16 -40.62 89.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-O 119.338 -0.363 . . . . 10.0 110.561 175.177 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.5 m -59.24 -51.03 71.71 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.355 0.662 . . . . 10.0 111.853 177.493 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.43 -38.83 78.25 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 115.01 1.485 . . . . 10.0 115.01 169.487 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.443 ' CD1' ' HA ' ' A' ' 74' ' ' ALA . 27.7 t80 -66.85 -44.54 80.77 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 119.534 1.061 . . . . 10.0 110.547 179.71 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 53.6 mt -60.07 -53.14 52.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 124.625 1.17 . . . . 10.0 110.039 173.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.05 -14.36 35.27 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.15 1.167 . . . . 10.0 114.15 -179.645 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -114.21 11.09 17.4 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.813 1.245 . . . . 10.0 112.513 175.732 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.8 ttm-85 -129.33 -24.52 2.81 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 115.079 1.511 . . . . 10.0 115.079 173.775 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.8 p -150.03 148.17 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.227 1.411 . . . . 10.0 109.333 -179.017 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 40.3 t -87.37 136.25 33.01 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 116.151 1.908 . . . . 10.0 116.151 -166.707 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.84 -24.48 3.56 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.107 1.363 . . . . 10.0 113.069 166.205 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -70.91 -22.13 62.29 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.398 1.258 . . . . 10.0 114.398 173.179 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -111.38 -29.47 7.79 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.096 1.358 . . . . 10.0 111.697 179.347 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.1 mm -71.89 113.93 9.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 C-N-CA 124.77 1.228 . . . . 10.0 109.037 168.893 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 25.2 t -69.21 -50.71 50.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 C-N-CA 124.093 0.957 . . . . 10.0 109.592 168.689 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -164.05 177.11 8.71 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.474 0.71 . . . . 10.0 112.049 176.764 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 35.0 pt -137.35 143.27 34.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 125.021 1.329 . . . . 10.0 112.255 175.902 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -115.07 107.27 15.12 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 123.985 0.914 . . . . 10.0 109.022 168.375 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.5 mm -103.3 124.96 57.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 N-CA-C 107.208 -1.404 . . . . 10.0 107.208 169.023 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.9 m -116.42 117.67 30.58 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 108.367 -0.975 . . . . 10.0 108.367 175.178 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -115.84 118.41 58.7 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 C-N-CA 126.96 2.104 . . . . 10.0 109.257 -176.283 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -114.55 138.96 49.99 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 124.758 1.223 . . . . 10.0 108.598 178.54 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.7 p -139.5 131.44 34.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 C-N-CA 124.585 1.154 . . . . 10.0 108.67 178.882 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.41 159.97 43.1 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.925 1.29 . . . . 10.0 110.926 -170.36 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -144.38 99.64 3.4 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.733 0.778 . . . . 10.0 109.298 179.383 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -131.27 80.69 1.95 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.705 1.602 . . . . 10.0 108.675 -176.434 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.3 t70 64.71 -44.04 0.31 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 127.245 2.218 . . . . 10.0 112.054 -167.386 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -98.18 155.02 17.36 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.647 1.579 . . . . 10.0 110.219 166.867 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.1 tp -85.23 129.26 34.84 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 106.161 -1.792 . . . . 10.0 106.161 165.829 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -129.38 137.42 50.93 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.403 0.681 . . . . 10.0 109.87 179.796 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.4 t -136.1 130.75 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 N-CA-C 107.619 -1.252 . . . . 10.0 107.619 174.492 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -137.02 131.91 33.5 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 124.352 1.061 . . . . 10.0 108.637 -171.725 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.4 mt -132.09 128.11 58.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 C-N-CA 123.699 0.8 . . . . 10.0 109.073 -170.218 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.8 m -127.65 140.12 52.29 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 125.521 1.528 . . . . 10.0 108.909 176.146 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.34 149.34 52.59 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.295 0.638 . . . . 10.0 112.28 179.458 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.08 141.35 48.16 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.383 1.473 . . . . 10.0 109.129 168.546 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.2 tp -128.01 104.03 7.56 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 125.82 1.648 . . . . 10.0 108.267 -169.502 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -95.17 105.89 17.86 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 -172.475 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -82.27 151.92 26.58 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 125.057 1.343 . . . . 10.0 111.146 171.572 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.493 ' C ' ' H ' ' A' ' 63' ' ' LEU . 24.9 t0 -56.97 147.28 24.33 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.595 -0.73 . . . . 10.0 111.001 167.706 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -66.46 24.25 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 126.436 1.895 . . . . 10.0 113.899 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.493 ' H ' ' C ' ' A' ' 61' ' ' ASP . 0.5 OUTLIER -149.84 14.01 0.82 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 128.603 2.761 . . . . 10.0 111.492 -173.633 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.0 m -153.03 156.43 38.78 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 120.027 -1.671 . . . . 10.0 112.379 175.397 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -145.45 94.79 2.56 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.811 1.245 . . . . 10.0 109.55 -168.121 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.97 167.12 4.03 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.812 0.845 . . . . 10.0 111.926 168.913 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -85.32 144.21 40.38 Favored Pre-proline 0 CA--C 1.546 0.809 0 O-C-N 121.035 -1.041 . . . . 10.0 111.976 -168.802 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -72.49 66.26 3.7 Favored 'Trans proline' 0 C--N 1.356 0.938 1 C-N-CA 125.772 4.315 . . . . 10.0 112.458 -173.45 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 177.35 -20.18 0.04 OUTLIER Glycine 0 CA--C 1.533 1.2 0 C-N-CA 126.396 1.951 . . . . 10.0 113.486 179.912 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 26.6 mt -57.84 -35.98 53.66 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-N 119.695 1.747 . . . . 10.0 112.313 -178.285 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 62.1 t -64.92 -57.95 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.203 1.001 . . . . 10.0 110.0 173.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -53.31 -45.33 68.94 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 126.358 1.863 . . . . 10.0 110.9 -178.47 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -63.86 -34.39 77.83 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.983 0.913 . . . . 10.0 111.644 175.139 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.443 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . . . -70.04 -43.0 72.16 Favored 'General case' 0 C--N 1.342 0.261 0 CA-C-N 119.529 1.059 . . . . 10.0 111.685 178.837 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.1 t -72.0 -40.39 67.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-O 119.514 -0.279 . . . . 10.0 111.0 177.699 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -58.85 -37.17 75.88 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.636 1.575 . . . . 10.0 112.319 171.685 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.26 -42.85 99.19 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.192 -0.943 . . . . 10.0 111.911 170.184 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.01 -42.35 99.81 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.005 0.82 . . . . 10.0 112.554 172.232 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -62.39 -43.12 99.58 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.282 0.946 . . . . 10.0 111.851 177.894 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 28.9 mtt85 -71.12 -39.34 72.09 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 119.206 0.912 . . . . 10.0 112.649 173.845 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.3 t -65.86 -24.57 66.9 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 118.036 -0.983 . . . . 10.0 113.056 175.892 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 45.5 tp -77.95 -47.13 19.31 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 124.094 0.958 . . . . 10.0 111.347 172.017 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -66.26 -41.17 90.29 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 118.218 0.463 . . . . 10.0 111.071 179.737 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.5 t -69.68 -18.05 63.53 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 113.656 0.984 . . . . 10.0 113.656 173.66 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -81.33 -42.42 20.58 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.444 1.02 . . . . 10.0 111.297 168.387 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.5 mt -69.07 -22.67 64.0 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 118.529 -0.748 . . . . 10.0 112.62 175.697 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -48.96 -35.84 16.04 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.015 0.926 . . . . 10.0 110.585 166.533 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -71.85 -4.12 57.55 Favored Glycine 0 CA--C 1.538 1.486 0 N-CA-C 114.998 0.759 . . . . 10.0 114.998 177.125 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -136.89 -0.2 2.34 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.543 1.937 . . . . 10.0 113.629 -173.312 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 -139.18 -42.36 0.46 Allowed 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.293 1.437 . . . . 10.0 112.994 -176.79 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 . . . . . 0 C--O 1.252 1.19 0 O-C-N 125.268 1.605 . . . . 10.0 112.187 -169.789 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 118.7 -0.667 . . . . 10.0 110.232 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.4 t 51.95 28.29 5.08 Favored 'General case' 0 CA--C 1.548 0.904 0 N-CA-C 116.317 1.969 . . . . 10.0 116.317 170.46 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 pp -65.66 175.84 1.73 Allowed 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.947 1.299 . . . . 10.0 112.693 171.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -110.05 -176.98 3.14 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.325 1.05 . . . . 10.0 112.802 -169.423 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -51.97 127.58 21.72 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.281 1.032 . . . . 10.0 109.615 177.075 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.2 mt -74.74 107.48 6.87 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.69 0.757 . . . . 10.0 110.292 -169.544 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.409 ' C ' ' H ' ' A' ' 9' ' ' GLY . 6.3 t -147.44 -178.25 6.14 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.87 2.068 . . . . 10.0 107.906 -172.252 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -63.52 29.6 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.955 1 C-N-CA 131.853 4.061 . . . . 10.0 114.327 -177.346 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.409 ' H ' ' C ' ' A' ' 7' ' ' THR . . . -142.8 -61.22 0.02 OUTLIER Glycine 0 CA--C 1.528 0.859 0 C-N-CA 128.084 2.754 . . . . 10.0 109.299 172.577 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.09 -39.82 83.36 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 118.128 0.964 . . . . 10.0 112.545 176.545 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.7 mt -65.32 -39.91 93.04 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.489 -0.757 . . . . 10.0 112.181 177.662 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -70.12 -42.12 73.04 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.215 0.606 . . . . 10.0 111.405 175.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -57.14 -44.45 83.41 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.5 0.72 . . . . 10.0 110.926 172.792 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 75.1 mt -64.78 -44.03 96.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 124.244 1.018 . . . . 10.0 111.202 176.394 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.8 t -58.72 -42.98 89.97 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.387 0.54 . . . . 10.0 111.191 174.132 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.6 p -61.87 -42.85 99.56 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.957 0.903 . . . . 10.0 112.536 174.717 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -61.69 -42.59 99.15 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 124.765 1.226 . . . . 10.0 111.421 178.197 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.5 mt -70.19 -45.13 67.28 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 122.842 0.457 . . . . 10.0 111.584 178.07 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -59.75 -48.42 81.73 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.49 0.587 . . . . 10.0 111.593 175.719 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -62.39 -37.41 85.67 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 118.634 -0.698 . . . . 10.0 111.852 175.117 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.6 m -61.04 -44.11 97.88 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.622 1.101 . . . . 10.0 111.293 178.283 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.7 mt -65.55 -45.52 92.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-N 118.086 0.403 . . . . 10.0 110.848 174.461 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.1 t -57.4 -50.3 73.44 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 122.87 0.468 . . . . 10.0 112.173 177.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.51 -38.67 81.55 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 114.8 1.407 . . . . 10.0 114.8 171.913 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -64.15 -45.69 87.35 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 119.91 1.232 . . . . 10.0 110.973 175.098 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.8 mt -61.15 -53.0 55.03 Favored 'Isoleucine or valine' 0 C--N 1.342 0.25 0 C-N-CA 124.13 0.972 . . . . 10.0 109.848 177.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.65 -20.74 65.1 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.872 1.064 . . . . 10.0 113.872 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.6 mtmm -95.91 -0.06 51.34 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.078 0.951 . . . . 10.0 113.466 173.345 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -125.23 -27.88 3.45 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.475 1.287 . . . . 10.0 114.475 -178.162 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.7 p -144.43 153.64 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 125.903 1.681 . . . . 10.0 110.962 170.543 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 45.3 t -76.59 122.69 24.98 Favored 'General case' 0 N--CA 1.463 0.209 0 O-C-N 121.218 -0.926 . . . . 10.0 111.782 178.069 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.46 -24.78 5.4 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.215 1.406 . . . . 10.0 113.18 168.239 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.7 -12.67 61.7 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.856 1.058 . . . . 10.0 113.856 174.027 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -94.82 -10.84 30.18 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.1 1.36 . . . . 10.0 112.035 169.8 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 56.4 mt -94.36 125.85 46.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 125.39 1.476 . . . . 10.0 108.402 -177.534 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.1 t -69.0 -50.99 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 C-N-CA 124.49 1.116 . . . . 10.0 109.118 169.627 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -162.98 174.73 11.95 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.16 0.8 . . . . 10.0 113.16 170.588 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.4 pt -132.26 143.15 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 C-N-CA 125.833 1.653 . . . . 10.0 110.717 170.56 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -121.9 127.0 49.94 Favored 'General case' 0 N--CA 1.462 0.141 0 N-CA-C 108.139 -1.06 . . . . 10.0 108.139 169.708 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 59.7 mt -131.18 126.09 58.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 108.057 -1.09 . . . . 10.0 108.057 -178.534 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 52.9 m -119.67 117.87 29.42 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 125.111 1.364 . . . . 10.0 108.153 -179.633 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.6 t -115.56 122.04 68.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 N-CA-C 107.204 -1.406 . . . . 10.0 107.204 171.787 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.8 mt -117.81 139.26 51.33 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 125.207 1.403 . . . . 10.0 109.062 175.817 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.2 p -135.53 138.37 48.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 C-N-CA 124.274 1.029 . . . . 10.0 109.639 179.664 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -144.48 159.89 42.0 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.597 1.159 . . . . 10.0 110.935 179.41 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -137.05 105.37 5.73 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 106.983 -1.488 . . . . 10.0 106.983 173.861 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.404 ' C ' ' H ' ' A' ' 49' ' ' GLU . 9.4 t -131.14 84.63 2.2 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.223 1.409 . . . . 10.0 107.547 -174.568 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.2 t70 66.74 -31.43 0.16 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 127.379 2.272 . . . . 10.0 113.121 -166.802 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.404 ' H ' ' C ' ' A' ' 47' ' ' THR . 0.0 OUTLIER -140.44 160.31 40.28 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 127.737 2.415 . . . . 10.0 111.001 169.858 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 53.9 tp -84.82 129.25 34.84 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.828 2.051 . . . . 10.0 110.178 -174.164 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -133.4 147.6 51.77 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.96 1.304 . . . . 10.0 110.332 178.652 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 89.5 t -135.91 142.25 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 C-N-CA 125.625 1.57 . . . . 10.0 108.043 176.413 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -130.3 134.93 47.57 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 125.335 1.454 . . . . 10.0 107.851 176.757 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.0 mt -132.06 131.93 61.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 C-N-CA 123.149 0.58 . . . . 10.0 109.832 -179.636 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.7 m -131.75 137.83 48.36 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.639 1.176 . . . . 10.0 109.552 168.654 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.39 144.44 51.21 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.695 0.798 . . . . 10.0 110.975 175.918 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -129.23 138.71 51.84 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 126.351 1.86 . . . . 10.0 109.373 -177.063 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -123.07 121.28 35.65 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 126.158 1.783 . . . . 10.0 108.245 -173.903 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -114.08 102.76 10.47 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 108.197 -1.038 . . . . 10.0 108.197 174.359 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -82.88 151.97 25.78 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 125.508 1.523 . . . . 10.0 111.232 174.562 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.459 ' C ' ' H ' ' A' ' 63' ' ' LEU . 40.3 t0 -62.32 147.46 48.15 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.935 168.293 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -64.97 30.8 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 128.61 2.764 . . . . 10.0 113.401 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.459 ' H ' ' C ' ' A' ' 61' ' ' ASP . 6.1 tt -148.18 -8.37 0.4 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 128.119 2.568 . . . . 10.0 112.916 -169.316 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.03 154.85 47.0 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.643 1.11 . . . . 10.0 112.374 -178.14 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -136.47 94.69 3.04 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.942 1.697 . . . . 10.0 108.364 -174.44 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.68 -175.23 0.65 Allowed 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 125.813 1.645 . . . . 10.0 112.728 170.4 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.04 144.9 42.19 Favored Pre-proline 0 CA--C 1.546 0.809 0 O-C-N 120.64 -1.287 . . . . 10.0 109.693 -169.882 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -73.17 42.19 0.62 Allowed 'Trans proline' 0 CA--C 1.548 1.188 1 C-N-CA 125.658 4.239 . . . . 10.0 113.802 -176.822 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.1 13.9 0.02 OUTLIER Glycine 0 CA--C 1.539 1.546 0 C-N-CA 127.925 2.679 . . . . 10.0 113.552 176.328 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.7 tt -59.99 -36.54 67.79 Favored 'Isoleucine or valine' 0 C--N 1.349 0.57 0 CA-C-N 119.175 1.487 . . . . 10.0 113.555 -168.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.9 p -86.02 -39.41 13.6 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.277 0 C-N-CA 124.46 1.104 . . . . 10.0 111.266 178.752 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.47 -47.01 73.45 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.872 1.269 . . . . 10.0 110.139 174.405 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.06 -36.88 85.46 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 118.187 -0.911 . . . . 10.0 112.575 171.093 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.46 -44.15 91.98 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 120.359 1.436 . . . . 10.0 112.05 176.777 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.1 t -72.19 -41.14 66.76 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 O-C-N 121.962 -0.461 . . . . 10.0 110.94 178.927 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -58.83 -40.28 83.73 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.262 1.025 . . . . 10.0 110.952 171.408 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.07 -37.35 86.85 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 120.744 -1.222 . . . . 10.0 112.377 171.522 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.3 -43.68 93.96 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.506 1.048 . . . . 10.0 112.14 170.366 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -64.7 -43.09 94.6 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.333 0.969 . . . . 10.0 112.79 176.65 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 44.0 mtt180 -70.0 -32.73 71.07 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.706 0.802 . . . . 10.0 112.122 176.1 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 45.7 m -65.51 -43.26 90.63 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 118.952 -0.547 . . . . 10.0 110.517 169.601 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 39.4 tp -62.39 -47.12 85.56 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-O 118.353 -0.832 . . . . 10.0 112.478 179.236 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -65.63 -40.89 93.02 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.64 1.109 . . . . 10.0 111.502 177.022 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.3 m -63.21 -29.82 71.08 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.977 0.911 . . . . 10.0 112.74 175.203 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -81.11 -38.27 27.53 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.433 1.493 . . . . 10.0 112.621 175.846 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -64.19 -34.28 77.72 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.854 1.262 . . . . 10.0 111.889 170.127 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -60.02 -18.4 45.88 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.585 1.154 . . . . 10.0 111.724 168.561 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -97.91 14.8 62.47 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 120.974 -1.079 . . . . 10.0 112.987 175.771 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -150.38 -34.71 0.16 Allowed 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.419 1.266 . . . . 10.0 114.419 -170.845 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.8 mtm180 -120.02 -17.27 8.45 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 120.255 1.389 . . . . 10.0 114.707 174.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 . . . . . 0 C--O 1.254 1.323 0 CA-C-O 115.991 -1.957 . . . . 10.0 111.83 -169.616 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.464 ' HA ' ' HA ' ' A' ' 89' ' ' PHE . 25.8 ptm . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 118.937 -0.554 . . . . 10.0 110.993 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 t -166.06 38.38 0.05 Allowed 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 113.19 0.811 . . . . 10.0 113.19 -176.179 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -125.72 -171.89 2.48 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.721 1.208 . . . . 10.0 113.708 -169.312 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -121.43 177.85 5.04 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 126.589 1.956 . . . . 10.0 110.74 -179.859 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -62.1 125.75 24.95 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 108.12 -1.067 . . . . 10.0 108.12 169.069 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 mp -74.79 113.38 12.01 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 108.93 -0.767 . . . . 10.0 108.93 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.8 t -144.09 171.85 13.7 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 126.05 1.74 . . . . 10.0 107.82 179.199 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.2 mp0 -50.48 -34.42 24.86 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 119.329 0.968 . . . . 10.0 113.479 -170.525 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.86 -63.23 5.27 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 123.93 0.776 . . . . 10.0 113.603 172.365 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -65.23 -32.86 74.74 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.605 1.162 . . . . 10.0 111.745 -178.728 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 93.1 mt -70.08 -39.69 75.45 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.005 0.922 . . . . 10.0 112.5 173.148 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -65.69 -38.33 88.96 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 119.528 1.058 . . . . 10.0 111.615 170.802 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.57 -43.64 84.71 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 118.852 0.751 . . . . 10.0 112.068 172.204 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.6 mt -65.42 -48.39 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-N 118.471 0.578 . . . . 10.0 110.606 174.524 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.5 m -58.91 -39.89 82.86 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.181 0.9 . . . . 10.0 112.427 178.167 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.2 t -65.97 -43.57 87.49 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.867 1.267 . . . . 10.0 112.167 172.857 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -57.77 -41.67 82.48 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.033 0.833 . . . . 10.0 111.987 173.566 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.6 mt -66.97 -45.15 78.57 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.283 0.633 . . . . 10.0 111.871 176.334 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 -57.36 -49.62 75.58 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.075 0.55 . . . . 10.0 111.225 174.471 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -61.23 -40.0 92.41 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.099 0.559 . . . . 10.0 111.909 176.275 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 95.8 m -61.0 -44.64 97.12 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.321 0.649 . . . . 10.0 111.252 179.473 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.0 mt -71.08 -41.0 76.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-O 118.077 -0.963 . . . . 10.0 111.102 177.439 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.2 t -54.96 -51.63 65.53 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 118.601 0.637 . . . . 10.0 111.382 173.255 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.73 -39.26 76.86 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 115.374 1.62 . . . . 10.0 115.374 171.69 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -66.87 -44.49 80.82 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.766 1.166 . . . . 10.0 110.546 179.38 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 85.8 mt -62.32 -50.71 78.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 123.535 0.734 . . . . 10.0 109.978 175.93 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.8 mp -61.27 -24.29 66.29 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.641 0.978 . . . . 10.0 113.641 177.802 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -97.69 8.28 44.95 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.221 1.009 . . . . 10.0 113.605 173.852 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 51.0 mtt180 -119.69 -34.1 3.85 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.87 1.433 . . . . 10.0 114.87 168.172 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.1 t -136.79 139.21 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.683 1.193 . . . . 10.0 109.377 -177.79 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.0 t -62.99 120.55 11.6 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 121.734 0.778 . . . . 10.0 111.434 179.641 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.71 -25.17 10.26 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.209 1.404 . . . . 10.0 113.048 169.589 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -75.38 -2.13 27.05 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.796 0.838 . . . . 10.0 112.753 175.54 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -121.32 8.92 10.29 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.171 1.388 . . . . 10.0 111.485 169.024 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.0 mt -106.38 128.14 61.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 C-N-CA 125.858 1.663 . . . . 10.0 107.894 173.845 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.4 t -68.89 -52.97 29.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 123.261 0.624 . . . . 10.0 109.323 171.079 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -165.82 177.07 7.43 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.552 0.741 . . . . 10.0 112.792 171.296 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.57 143.0 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 C-N-CA 125.201 1.401 . . . . 10.0 109.753 168.437 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -130.37 120.02 23.64 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 106.981 -1.488 . . . . 10.0 106.981 170.029 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.3 mm -106.93 113.58 43.79 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.244 0 N-CA-C 107.149 -1.426 . . . . 10.0 107.149 175.759 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 45.3 m -87.08 115.76 24.69 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 106.34 -1.726 . . . . 10.0 106.34 179.794 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -115.91 118.5 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 C-N-CA 125.989 1.716 . . . . 10.0 110.691 -177.959 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 71.0 mt -117.84 139.14 51.52 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 124.627 1.171 . . . . 10.0 109.722 171.099 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.4 p -139.81 131.9 34.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 C-N-CA 123.128 0.571 . . . . 10.0 109.887 174.2 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -146.29 159.09 43.82 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.544 1.537 . . . . 10.0 110.632 -168.365 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -146.34 105.47 3.9 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 108.76 -0.83 . . . . 10.0 108.76 176.409 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.432 ' C ' ' H ' ' A' ' 49' ' ' GLU . 57.1 m -131.84 94.59 3.53 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 120.709 -1.244 . . . . 10.0 110.058 174.087 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.5 t70 63.75 -30.73 0.1 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 127.01 2.124 . . . . 10.0 114.055 -169.307 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.432 ' H ' ' C ' ' A' ' 47' ' ' THR . 0.0 OUTLIER -136.71 160.18 39.62 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 128.398 2.679 . . . . 10.0 110.528 172.208 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 47.6 tp -85.0 129.22 34.83 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.419 1.888 . . . . 10.0 109.941 -176.484 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -122.86 136.44 54.87 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.445 1.098 . . . . 10.0 109.129 173.393 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 10.5 p -131.12 142.43 43.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 C-N-CA 125.268 1.427 . . . . 10.0 107.161 168.748 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -127.01 129.46 48.12 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 108.016 -1.105 . . . . 10.0 108.016 169.809 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.8 mt -124.51 109.2 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.83 0 N-CA-C 103.876 -2.638 . . . . 10.0 103.876 168.521 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.7 m -119.64 135.51 54.78 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 104.994 -2.225 . . . . 10.0 104.994 178.902 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -129.95 138.19 50.73 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 114.079 1.14 . . . . 10.0 114.079 -166.716 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -123.57 121.84 36.65 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.773 1.629 . . . . 10.0 107.977 -176.181 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.1 tt -127.8 113.15 15.58 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 107.587 -1.264 . . . . 10.0 107.587 -174.714 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -109.44 103.63 12.57 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.495 0.718 . . . . 10.0 109.607 -170.524 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.1 mt -82.34 151.9 26.5 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.245 1.418 . . . . 10.0 112.553 179.883 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -61.7 138.4 58.31 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.613 0.765 . . . . 10.0 109.958 168.599 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.1 pm0 -65.0 -8.57 16.5 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 115.026 1.491 . . . . 10.0 115.026 -178.391 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.26 0.77 43.83 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.418 1.487 . . . . 10.0 112.229 170.288 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.0 t -89.84 171.24 9.75 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.046 1.338 . . . . 10.0 112.85 178.16 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -159.05 118.17 2.99 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.518 1.927 . . . . 10.0 107.806 177.573 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -138.46 179.68 6.32 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.218 1.807 . . . . 10.0 111.293 174.892 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -85.18 138.45 36.71 Favored Pre-proline 0 CA--C 1.546 0.822 0 O-C-N 120.904 -1.122 . . . . 10.0 112.555 -166.331 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -74.38 49.0 1.95 Allowed 'Trans proline' 0 CA--C 1.547 1.131 1 C-N-CA 126.26 4.64 . . . . 10.0 114.009 -169.379 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.03 -1.51 0.03 OUTLIER Glycine 0 CA--C 1.536 1.359 0 C-N-CA 125.573 1.558 . . . . 10.0 115.049 178.677 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.1 tt -55.57 -22.65 12.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-N 119.544 1.672 . . . . 10.0 115.485 -171.77 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.6 p -81.71 -27.49 9.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 C-N-CA 125.05 1.34 . . . . 10.0 113.736 175.23 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -60.21 -43.13 96.21 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 120.218 1.372 . . . . 10.0 110.284 178.448 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -64.02 -30.8 71.85 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.16 0.984 . . . . 10.0 112.302 171.678 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.47 -44.67 78.01 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-N 119.209 0.913 . . . . 10.0 111.421 173.732 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.6 t -68.07 -41.51 84.4 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 O-C-N 122.203 -0.311 . . . . 10.0 110.961 177.7 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -58.77 -40.82 85.03 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.604 1.162 . . . . 10.0 111.121 174.062 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.32 -37.94 87.54 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.623 -0.673 . . . . 10.0 112.505 173.032 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.15 -40.21 78.34 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-N 118.863 0.756 . . . . 10.0 112.933 171.812 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -61.63 -43.0 99.67 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.374 0.988 . . . . 10.0 112.029 174.074 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 73.2 mtt-85 -70.48 -35.42 73.26 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.438 -0.788 . . . . 10.0 112.234 175.007 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 46.9 m -63.15 -40.59 98.0 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.907 0.483 . . . . 10.0 111.194 172.155 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 31.9 tp -64.15 -47.04 81.43 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 123.687 0.795 . . . . 10.0 111.449 173.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -63.12 -41.27 99.3 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.467 0.576 . . . . 10.0 111.117 178.534 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.1 t -67.76 -31.94 72.2 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 112.949 0.722 . . . . 10.0 112.949 174.774 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -65.29 -42.14 93.44 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.129 -0.982 . . . . 10.0 111.545 170.143 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -67.48 -30.07 69.67 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-O 117.406 -1.283 . . . . 10.0 112.345 168.46 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -61.66 -21.78 64.72 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 121.435 1.925 . . . . 10.0 111.496 169.037 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -76.25 -8.73 85.6 Favored Glycine 0 CA--C 1.54 1.628 0 O-C-N 120.738 -1.226 . . . . 10.0 113.771 168.851 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.464 ' HA ' ' HA ' ' A' ' 1' ' ' MET . 20.9 m-30 -126.68 -40.42 1.92 Allowed 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 115.445 1.646 . . . . 10.0 115.445 -168.919 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 80.4 mtt-85 -81.17 -35.52 31.33 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.259 1.024 . . . . 10.0 110.871 177.896 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 . . . . . 0 C--O 1.26 1.614 0 O-C-N 124.641 1.213 . . . . 10.0 110.034 164.295 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.6 ptt? . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 117.882 -1.056 . . . . 10.0 110.082 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.7 p 125.3 162.94 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 131.259 3.823 . . . . 10.0 111.222 176.65 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.46 ' H ' HD22 ' A' ' 3' ' ' LEU . 2.0 pt? -71.04 165.93 22.45 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.628 1.571 . . . . 10.0 113.343 179.101 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -76.85 170.93 15.58 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.861 1.264 . . . . 10.0 111.721 176.195 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -66.72 110.19 3.15 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 107.104 -1.443 . . . . 10.0 107.104 168.435 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 80.1 mt -74.6 121.44 21.6 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 123.59 0.556 . . . . 10.0 111.119 -168.612 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.9 t -141.29 -168.53 2.65 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.542 1.537 . . . . 10.0 109.98 173.183 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -48.02 -39.05 18.62 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.464 1.505 . . . . 10.0 113.329 -173.866 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.11 -47.5 64.48 Favored Glycine 0 CA--C 1.53 1.025 0 C-N-CA 123.55 0.595 . . . . 10.0 113.385 178.387 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.48 -39.98 85.25 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 118.107 0.954 . . . . 10.0 110.905 178.749 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mp -65.47 -42.65 92.03 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.106 0.962 . . . . 10.0 111.847 175.145 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -61.13 -46.17 91.67 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 119.058 0.844 . . . . 10.0 111.361 170.574 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -60.58 -44.01 96.68 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.883 0.873 . . . . 10.0 111.91 179.004 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.5 mt -64.89 -42.94 96.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-N 118.507 0.594 . . . . 10.0 110.466 174.411 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.6 p -58.71 -40.83 84.79 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 119.02 0.827 . . . . 10.0 111.981 174.824 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.0 t -68.63 -42.11 78.49 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.778 1.231 . . . . 10.0 111.515 176.941 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -60.17 -42.77 95.67 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 118.718 0.69 . . . . 10.0 111.926 178.929 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -76.89 -37.47 55.41 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 118.084 -0.96 . . . . 10.0 113.181 175.218 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -58.55 -44.34 89.63 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 120.081 1.309 . . . . 10.0 111.924 173.791 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -65.09 -41.73 94.73 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 118.648 -0.691 . . . . 10.0 111.531 171.819 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.5 m -60.91 -47.37 86.72 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.091 0.86 . . . . 10.0 111.155 -179.185 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.2 mt -65.16 -43.38 95.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-N 118.699 0.681 . . . . 10.0 110.463 175.749 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.8 m -57.3 -49.06 77.3 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.313 0.506 . . . . 10.0 111.469 179.365 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -65.25 -38.71 91.2 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.287 0.635 . . . . 10.0 112.031 176.143 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -70.52 -35.39 73.15 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 118.802 0.728 . . . . 10.0 111.466 -179.909 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.5 mt -63.44 -53.07 50.07 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-O 118.1 -0.953 . . . . 10.0 108.74 169.51 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -59.15 -34.54 72.2 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.55 1.068 . . . . 10.0 113.74 -179.447 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.73 -7.38 58.58 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.478 0.918 . . . . 10.0 113.478 174.67 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -113.77 -27.1 7.91 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 116.118 1.896 . . . . 10.0 116.118 176.73 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.06 137.69 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 126.749 2.02 . . . . 10.0 109.282 174.709 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.2 t -75.58 136.3 40.52 Favored 'General case' 0 N--CA 1.464 0.226 0 O-C-N 121.208 -0.932 . . . . 10.0 111.327 -177.043 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.92 -24.85 3.93 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.578 1.151 . . . . 10.0 113.395 169.208 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -64.08 -20.3 65.85 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.823 1.192 . . . . 10.0 113.747 171.745 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -93.09 -11.81 32.02 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.933 1.693 . . . . 10.0 112.125 176.594 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.0 mm -110.28 128.22 66.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 127.27 2.228 . . . . 10.0 110.08 -168.204 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.4 t -70.04 -52.67 28.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 123.819 0.847 . . . . 10.0 110.387 169.578 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -164.3 177.22 8.46 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.46 0.704 . . . . 10.0 112.434 178.844 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 21.2 pt -133.97 143.09 39.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 125.444 1.498 . . . . 10.0 111.818 172.403 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -116.49 118.37 32.48 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 125.052 1.341 . . . . 10.0 108.741 168.703 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.2 mt -131.15 124.57 55.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 N-CA-C 108.882 -0.784 . . . . 10.0 108.882 177.036 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 79.9 m -119.85 128.77 53.99 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 125.497 1.519 . . . . 10.0 109.155 174.555 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.0 t -115.52 124.81 72.39 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 N-CA-C 106.318 -1.734 . . . . 10.0 106.318 168.871 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -117.66 138.94 51.64 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 125.035 1.334 . . . . 10.0 108.899 178.82 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.4 p -139.67 131.14 33.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 C-N-CA 124.438 1.095 . . . . 10.0 108.523 -179.168 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -149.62 160.06 43.81 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.792 0.837 . . . . 10.0 111.301 -177.937 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -139.26 102.8 4.59 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 107.796 -1.186 . . . . 10.0 107.796 -175.678 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.2 t -131.17 80.88 1.96 Allowed 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.119 1.368 . . . . 10.0 108.166 -174.129 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.0 t70 64.64 -37.5 0.21 Allowed 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 127.656 2.382 . . . . 10.0 113.054 -166.854 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -116.2 152.21 34.19 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 127.496 2.318 . . . . 10.0 109.711 169.763 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 54.4 tp -85.3 129.04 34.89 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.777 1.231 . . . . 10.0 109.302 176.179 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -128.43 147.11 50.64 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.68 1.192 . . . . 10.0 110.183 -177.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 74.4 t -135.73 141.75 41.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 C-N-CA 125.704 1.602 . . . . 10.0 107.239 173.821 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -129.14 141.84 51.06 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 125.538 1.535 . . . . 10.0 108.355 170.098 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 37.6 mt -132.18 123.11 49.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 N-CA-C 108.099 -1.075 . . . . 10.0 108.099 171.496 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.1 t -126.86 122.57 35.04 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 125.022 1.329 . . . . 10.0 108.381 179.483 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.19 146.59 52.39 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.118 0.967 . . . . 10.0 110.361 -177.734 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -145.85 147.62 32.0 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 125.386 1.474 . . . . 10.0 109.311 171.919 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.9 pp -127.88 143.96 51.1 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-O 122.33 1.062 . . . . 10.0 111.818 172.206 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -106.87 109.58 21.52 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 106.936 -1.505 . . . . 10.0 106.936 -177.879 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.0 mt -82.16 151.71 26.8 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 124.183 0.993 . . . . 10.0 109.984 176.68 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.451 ' C ' ' H ' ' A' ' 63' ' ' LEU . 28.8 t0 -64.27 147.25 52.86 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 120.396 -0.521 . . . . 10.0 109.657 167.487 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -66.81 14.82 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.191 1.397 . . . . 10.0 114.62 -177.576 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.451 ' H ' ' C ' ' A' ' 61' ' ' ASP . 34.9 tp -131.2 -3.83 3.9 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 128.501 2.72 . . . . 10.0 112.092 178.535 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 53.9 m -95.5 152.49 18.38 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.822 1.249 . . . . 10.0 112.118 -178.355 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -142.11 94.4 2.66 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 123.034 1.397 . . . . 10.0 110.578 -179.503 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.22 -176.6 4.02 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.6 1.56 . . . . 10.0 112.066 172.686 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -85.54 145.54 42.28 Favored Pre-proline 0 CA--C 1.547 0.836 0 O-C-N 121.18 -0.95 . . . . 10.0 112.003 -171.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -74.41 45.84 1.3 Allowed 'Trans proline' 0 CA--C 1.548 1.22 1 C-N-CA 125.825 4.35 . . . . 10.0 113.961 -174.707 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.1 14.98 0.02 OUTLIER Glycine 0 CA--C 1.539 1.547 0 C-N-CA 126.991 2.234 . . . . 10.0 114.255 176.127 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 8.0 tt -69.6 -18.22 22.08 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-N 118.469 1.134 . . . . 10.0 113.654 -170.574 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 79.4 t -78.92 -54.48 11.71 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.292 0 C-N-CA 124.882 1.273 . . . . 10.0 109.245 169.813 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -52.89 -44.18 66.7 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 126.222 1.809 . . . . 10.0 111.559 -176.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -64.04 -33.27 75.36 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.702 0.631 . . . . 10.0 112.702 174.078 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.33 -40.01 67.73 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 122.067 -0.395 . . . . 10.0 111.344 175.925 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.7 t -70.55 -41.15 77.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-O 118.6 -0.714 . . . . 10.0 111.005 177.915 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -58.7 -39.57 81.15 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.748 1.158 . . . . 10.0 111.321 170.297 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.89 -37.79 88.32 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.905 0.775 . . . . 10.0 112.039 173.81 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.02 -44.29 85.12 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.326 0.966 . . . . 10.0 113.174 170.663 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -60.92 -43.1 99.07 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.332 0.969 . . . . 10.0 111.688 175.887 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.5 mtt-85 -72.4 -32.83 66.7 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.993 0.738 . . . . 10.0 112.993 176.425 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.2 t -63.09 -43.66 97.9 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.733 0.813 . . . . 10.0 110.75 170.024 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 45.2 tp -61.0 -47.1 88.01 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 118.82 0.736 . . . . 10.0 111.823 174.843 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -65.26 -41.36 94.34 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.285 0.948 . . . . 10.0 111.47 177.472 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.1 t -68.11 -19.22 64.82 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.545 0.943 . . . . 10.0 113.545 175.381 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -81.02 -40.97 23.43 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.46 1.504 . . . . 10.0 111.218 172.562 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -65.91 -30.09 70.62 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 119.455 1.025 . . . . 10.0 111.828 168.532 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -61.38 -13.19 17.91 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 119.418 1.008 . . . . 10.0 112.232 168.277 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.96 7.22 58.82 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 124.814 1.197 . . . . 10.0 114.001 169.523 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -137.31 -16.35 1.4 Allowed 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 115.33 1.604 . . . . 10.0 115.33 -177.073 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -125.54 -29.35 3.2 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.228 1.196 . . . . 10.0 114.228 -172.554 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 . . . . . 0 C--O 1.252 1.214 0 CA-C-O 117.069 -1.443 . . . . 10.0 110.394 167.505 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.481 1.108 0 N-CA-C 109.13 -0.693 . . . . 10.0 109.13 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -160.01 123.1 3.49 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.068 0.947 . . . . 10.0 109.887 -173.794 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.14 161.25 13.78 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.526 1.13 . . . . 10.0 112.183 177.243 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.7 mtt85 -153.89 176.76 11.79 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.67 1.188 . . . . 10.0 112.786 -168.855 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.7 mmmt -54.69 111.0 0.72 Allowed 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.801 1.641 . . . . 10.0 108.783 168.027 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.0 mt -74.8 123.37 24.88 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 120.767 0.318 . . . . 10.0 110.986 -171.519 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.402 ' C ' ' H ' ' A' ' 9' ' ' GLY . 13.6 t -153.16 -169.19 3.25 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.915 1.286 . . . . 10.0 110.392 -179.455 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -59.53 24.51 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 130.666 3.586 . . . . 10.0 115.563 -179.051 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.402 ' H ' ' C ' ' A' ' 7' ' ' THR . . . -144.93 -50.91 0.03 OUTLIER Glycine 0 CA--C 1.527 0.815 0 C-N-CA 126.143 1.83 . . . . 10.0 110.743 173.337 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -65.29 -38.48 90.36 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.596 -0.944 . . . . 10.0 112.387 175.739 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.9 mt -69.26 -35.49 76.15 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.695 -0.628 . . . . 10.0 111.607 173.038 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -64.56 -45.3 87.68 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.334 0.654 . . . . 10.0 110.646 173.738 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -59.85 -37.88 80.51 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.815 0.846 . . . . 10.0 112.505 172.893 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.4 mt -64.58 -40.27 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 O-C-N 120.822 -1.174 . . . . 10.0 110.418 172.636 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.3 p -60.3 -38.9 85.06 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.953 0.797 . . . . 10.0 112.327 171.354 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.03 -43.97 93.97 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.334 1.454 . . . . 10.0 111.509 174.815 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -60.98 -42.68 98.85 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.021 0.928 . . . . 10.0 111.52 176.041 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.8 mt -71.26 -46.72 60.34 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.042 0.537 . . . . 10.0 111.83 178.634 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -58.3 -47.97 81.99 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 118.598 0.635 . . . . 10.0 111.401 175.035 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -60.64 -40.85 93.5 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 119.018 -0.515 . . . . 10.0 111.447 175.111 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.6 m -61.07 -46.69 89.63 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 118.745 0.702 . . . . 10.0 111.611 179.409 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.4 mt -63.52 -45.85 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-N 118.597 0.635 . . . . 10.0 110.384 174.223 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.2 t -58.71 -50.5 73.65 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.428 0.558 . . . . 10.0 112.112 -179.327 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -63.51 -38.82 92.6 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-O 118.047 -0.978 . . . . 10.0 111.763 174.303 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -62.22 -45.7 92.18 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 120.311 1.414 . . . . 10.0 111.057 175.754 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.5 mt -59.94 -52.95 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-O 118.118 -0.944 . . . . 10.0 108.854 177.849 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.1 mp -60.74 -27.94 68.31 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.495 1.043 . . . . 10.0 113.555 178.066 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -79.79 -8.82 59.49 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.948 1.299 . . . . 10.0 114.092 172.615 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.72 -26.26 4.52 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 114.468 1.284 . . . . 10.0 114.468 -177.205 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.4 p -151.34 142.19 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 127.284 2.234 . . . . 10.0 109.389 -179.257 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.9 t -80.31 136.51 36.43 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 115.13 1.53 . . . . 10.0 115.13 -169.022 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.95 -24.62 3.8 Favored 'General case' 0 CA--C 1.551 0.998 0 O-C-N 120.758 -1.214 . . . . 10.0 112.193 165.679 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -80.44 -10.74 59.74 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 115.198 1.555 . . . . 10.0 115.198 177.768 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -113.62 -3.48 13.6 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.623 1.169 . . . . 10.0 111.67 173.387 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 75.7 mt -95.79 128.15 47.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 C-N-CA 127.01 2.124 . . . . 10.0 109.675 175.942 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.4 t -72.78 -49.98 36.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 124.294 1.038 . . . . 10.0 109.569 168.365 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -164.09 176.48 9.25 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 123.347 0.659 . . . . 10.0 112.417 176.411 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 15.5 pt -137.28 134.13 47.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 125.458 1.503 . . . . 10.0 111.003 171.915 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -103.32 122.77 45.5 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 107.491 -1.3 . . . . 10.0 107.491 168.215 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 85.0 mt -131.21 121.21 48.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 N-CA-C 109.02 -0.733 . . . . 10.0 109.02 174.573 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 85.4 m -119.73 117.83 29.27 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 125.645 1.578 . . . . 10.0 108.298 178.052 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.8 t -115.57 126.13 73.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 N-CA-C 107.52 -1.289 . . . . 10.0 107.52 172.256 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 73.9 mt -117.79 139.08 51.58 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 124.273 1.029 . . . . 10.0 108.947 178.415 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 38.6 t -139.61 136.21 39.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 C-N-CA 124.587 1.155 . . . . 10.0 108.91 -177.308 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -147.03 159.78 43.17 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.647 1.179 . . . . 10.0 110.426 -179.041 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -134.51 103.92 5.88 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.313 0.645 . . . . 10.0 110.054 169.706 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.0 m -131.27 81.02 1.96 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.243 1.417 . . . . 10.0 108.046 -179.047 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.6 t70 64.92 -43.9 0.33 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 127.784 2.434 . . . . 10.0 113.168 -168.143 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -100.4 159.7 14.93 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.567 1.947 . . . . 10.0 110.997 167.585 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.5 tp -85.23 123.86 31.21 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 107.045 -1.465 . . . . 10.0 107.045 168.236 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -123.13 136.85 54.96 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 123.091 0.556 . . . . 10.0 110.094 -179.037 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 97.6 t -135.99 146.48 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 C-N-CA 125.106 1.362 . . . . 10.0 108.743 177.011 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -137.11 144.43 43.05 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 125.517 1.527 . . . . 10.0 109.008 169.555 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 42.5 mt -132.05 128.1 58.86 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.13 0 C-N-CA 124.5 1.12 . . . . 10.0 107.985 -178.522 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.4 m -131.94 131.77 42.94 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 123.676 0.79 . . . . 10.0 109.567 168.145 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.15 143.86 50.94 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.699 0.8 . . . . 10.0 109.444 172.316 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -136.27 143.76 44.42 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.975 1.31 . . . . 10.0 109.32 173.317 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 59.1 tp -127.99 107.85 10.18 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.61 1.564 . . . . 10.0 111.518 -166.599 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -96.14 107.61 19.96 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.497 -0.557 . . . . 10.0 109.497 -178.015 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -82.17 152.11 26.62 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.138 1.375 . . . . 10.0 111.643 172.769 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.91 147.06 24.68 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.931 167.415 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -64.98 -4.07 4.19 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.912 1.449 . . . . 10.0 114.912 -177.483 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 76.8 mt -113.31 8.78 18.14 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 125.816 1.646 . . . . 10.0 112.797 173.854 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.1 m -130.13 146.39 51.77 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.971 1.308 . . . . 10.0 112.593 -171.418 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -147.26 94.47 2.4 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 123.016 1.389 . . . . 10.0 112.329 -169.284 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.97 -177.2 3.77 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.343 1.457 . . . . 10.0 112.606 168.943 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.26 146.18 44.42 Favored Pre-proline 0 CA--C 1.547 0.844 0 O-C-N 120.632 -1.293 . . . . 10.0 112.421 -169.252 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -73.17 54.63 2.77 Favored 'Trans proline' 0 CA--C 1.545 1.056 1 C-N-CA 125.805 4.337 . . . . 10.0 112.757 178.823 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.05 -12.69 0.03 OUTLIER Glycine 0 CA--C 1.535 1.323 0 C-N-CA 125.531 1.539 . . . . 10.0 114.87 -177.846 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.0 tt -57.46 -24.42 21.8 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 N-CA-C 115.114 1.524 . . . . 10.0 115.114 -173.841 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 65.1 t -76.25 -50.44 22.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 125.539 1.536 . . . . 10.0 111.144 172.787 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -56.9 -36.08 69.74 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.509 1.124 . . . . 10.0 111.313 173.892 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -63.58 -41.51 98.36 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 122.926 0.491 . . . . 10.0 110.465 172.004 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.47 -41.46 72.73 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 119.038 0.835 . . . . 10.0 112.218 179.394 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 43.2 t -67.44 -50.88 57.84 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 125.161 1.385 . . . . 10.0 110.458 -179.028 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -58.92 -38.28 78.58 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.631 1.105 . . . . 10.0 111.834 171.056 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.01 -37.36 86.89 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 120.267 1.394 . . . . 10.0 112.411 175.311 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.1 -39.33 93.01 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.596 -0.69 . . . . 10.0 111.727 169.163 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -63.95 -43.04 97.04 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 117.788 -1.101 . . . . 10.0 113.312 173.112 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.1 mmt180 -66.51 -33.05 74.81 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 120.743 1.611 . . . . 10.0 112.236 174.246 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 25.1 m -65.72 -42.75 90.7 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.232 0.613 . . . . 10.0 111.055 172.258 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 23.2 tp -67.21 -45.27 77.36 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.152 0.981 . . . . 10.0 112.85 174.209 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -58.9 -31.46 68.64 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.321 1.848 . . . . 10.0 110.899 176.325 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.7 m -76.87 -45.52 27.97 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.4 1.08 . . . . 10.0 111.886 169.236 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -58.7 -40.92 85.03 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.012 1.325 . . . . 10.0 113.744 -173.525 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -65.98 -4.74 7.62 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 114.561 1.319 . . . . 10.0 114.561 176.295 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -47.57 -45.6 27.31 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 120.363 1.438 . . . . 10.0 110.2 168.292 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -74.21 5.53 26.56 Favored Glycine 0 CA--C 1.538 1.517 0 N-CA-C 115.078 0.791 . . . . 10.0 115.078 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -126.12 -2.93 7.0 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.794 1.638 . . . . 10.0 113.141 177.926 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -141.64 -38.38 0.4 Allowed 'General case' 0 N--CA 1.477 0.905 0 CA-C-O 117.775 -1.107 . . . . 10.0 113.704 177.664 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 . . . . . 0 C--O 1.254 1.341 0 CA-C-O 116.188 -1.863 . . . . 10.0 112.163 -169.642 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.481 1.086 0 CA-C-O 118.317 -0.849 . . . . 10.0 108.98 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.0 t -166.64 138.79 3.6 Favored 'General case' 0 C--O 1.231 0.111 0 C-N-CA 125.344 1.457 . . . . 10.0 108.624 169.01 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.28 -175.77 2.0 Allowed 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 107.911 -1.144 . . . . 10.0 107.911 162.495 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -120.77 -167.73 1.53 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.411 1.084 . . . . 10.0 110.269 177.675 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -56.52 126.54 27.0 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.774 0.83 . . . . 10.0 109.013 171.951 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 40.2 mt -74.75 105.97 6.07 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 121.635 0.731 . . . . 10.0 110.024 -172.382 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.0 t -145.34 -170.58 3.47 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 126.133 1.773 . . . . 10.0 109.841 -175.421 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -63.79 33.18 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 129.878 3.271 . . . . 10.0 114.705 -178.126 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -145.17 -55.72 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 C-N-CA 126.676 2.084 . . . . 10.0 110.347 169.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.93 -43.36 99.0 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 117.896 0.848 . . . . 10.0 111.734 174.194 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.5 mt -69.25 -35.41 76.09 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.313 0.645 . . . . 10.0 111.921 176.717 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -64.74 -46.16 83.41 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 122.946 0.498 . . . . 10.0 110.521 174.94 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -63.24 -37.97 89.32 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.49 0.716 . . . . 10.0 112.312 174.241 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.6 mt -64.38 -41.5 92.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 O-C-N 120.932 -1.105 . . . . 10.0 110.128 173.921 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.2 p -58.93 -41.87 88.36 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.873 0.76 . . . . 10.0 112.025 171.098 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -44.02 97.57 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.819 1.247 . . . . 10.0 111.396 175.862 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -64.52 -42.55 95.7 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.08 0.952 . . . . 10.0 112.009 177.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.2 mt -67.28 -47.92 69.22 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.929 -0.482 . . . . 10.0 111.077 176.798 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.9 t-160 -59.92 -43.73 94.73 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.491 0.716 . . . . 10.0 111.63 177.436 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -60.78 -45.56 93.89 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 118.732 -0.651 . . . . 10.0 111.932 171.602 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.9 m -61.1 -46.77 89.25 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 118.736 0.698 . . . . 10.0 111.231 -175.106 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 52.5 mt -65.01 -44.18 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-N 117.862 0.301 . . . . 10.0 110.407 175.445 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 m -60.67 -50.54 73.1 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.41 0.684 . . . . 10.0 112.338 -178.936 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -61.01 -38.56 86.48 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-O 117.062 -1.447 . . . . 10.0 114.404 168.557 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -60.94 -45.8 93.25 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 121.629 2.013 . . . . 10.0 110.465 176.771 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 63.1 mt -61.74 -51.64 70.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-O 117.87 -1.062 . . . . 10.0 109.965 176.392 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.4 mp -63.94 -18.48 64.29 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 120.558 1.527 . . . . 10.0 114.078 178.514 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -95.57 4.6 53.0 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.333 1.453 . . . . 10.0 112.127 172.714 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -124.22 -30.87 3.39 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.554 1.542 . . . . 10.0 114.5 174.324 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.2 t -145.67 137.91 20.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 126.943 2.097 . . . . 10.0 108.308 -171.121 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 40.5 t -79.22 136.46 37.08 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 122.389 1.09 . . . . 10.0 113.782 -171.749 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.92 -24.66 3.79 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.214 1.006 . . . . 10.0 112.968 167.442 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -87.63 -3.88 58.96 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 115.348 1.61 . . . . 10.0 115.348 178.428 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -117.43 -12.18 10.45 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.734 1.214 . . . . 10.0 112.095 169.837 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.5 mt -78.34 128.05 38.46 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 C-N-CA 125.765 1.626 . . . . 10.0 109.552 169.646 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 38.4 t -74.94 -51.04 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 C-N-CA 124.897 1.279 . . . . 10.0 108.46 167.756 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -163.33 176.52 9.79 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.652 0.781 . . . . 10.0 113.061 170.129 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.0 pt -131.71 142.31 43.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 125.624 1.57 . . . . 10.0 110.003 169.845 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -122.61 112.14 17.63 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 107.969 -1.123 . . . . 10.0 107.969 179.824 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 73.3 mt -129.33 119.12 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 C-N-CA 123.891 0.876 . . . . 10.0 108.758 -175.851 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.6 m -119.65 117.59 28.7 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 125.261 1.424 . . . . 10.0 107.809 177.562 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.1 m -115.84 118.84 60.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 C-N-CA 126.317 1.847 . . . . 10.0 108.856 178.672 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 mp -117.77 139.02 51.65 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.549 1.14 . . . . 10.0 109.344 -179.914 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.3 p -139.73 139.53 37.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 C-N-CA 123.23 0.612 . . . . 10.0 109.558 174.314 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -145.55 159.98 42.32 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.664 1.186 . . . . 10.0 111.088 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -140.76 99.76 3.69 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 107.097 -1.446 . . . . 10.0 107.097 170.432 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.2 m -126.61 80.47 1.94 Allowed 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 105.765 -1.939 . . . . 10.0 105.765 -171.774 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.0 t70 61.46 -36.53 0.11 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 127.453 2.301 . . . . 10.0 113.505 -165.849 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -114.92 147.08 40.45 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 127.869 2.468 . . . . 10.0 109.599 169.493 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 36.4 tp -85.29 129.11 34.88 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.261 1.425 . . . . 10.0 109.759 177.26 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.417 ' HE2' ' HB2' ' A' ' 53' ' ' ASP . 82.0 tttt -133.96 144.08 48.56 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.609 0.719 . . . . 10.0 111.002 171.342 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.9 p -131.07 140.69 47.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 C-N-CA 126.061 1.745 . . . . 10.0 107.23 168.433 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.417 ' HB2' ' HE2' ' A' ' 51' ' ' LYS . 5.8 t0 -140.31 140.35 35.63 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 125.041 1.336 . . . . 10.0 110.071 -175.126 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 16.5 mt -132.46 129.19 58.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.285 -0.87 . . . . 10.0 108.698 -170.083 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 59.5 m -131.58 122.73 26.56 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 123.925 0.89 . . . . 10.0 108.754 169.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.12 138.33 49.45 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.788 0.835 . . . . 10.0 110.166 177.79 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -140.12 145.9 38.17 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.043 1.337 . . . . 10.0 109.303 -177.236 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.5 tp -127.85 126.43 41.61 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 125.06 1.344 . . . . 10.0 109.983 -168.323 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -113.14 102.92 10.84 Favored 'General case' 0 C--N 1.337 0.032 0 C-N-CA 123.585 0.754 . . . . 10.0 109.015 176.802 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 30.6 mt -82.85 151.88 25.84 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.111 1.364 . . . . 10.0 111.901 169.158 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -63.11 142.94 58.19 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 108.22 -1.03 . . . . 10.0 108.22 164.925 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -64.77 -6.14 7.39 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.152 1.167 . . . . 10.0 114.152 -174.242 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.6 mt -93.28 3.33 55.82 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.973 1.309 . . . . 10.0 114.11 171.903 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.99 147.67 48.82 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.776 1.171 . . . . 10.0 112.631 175.544 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -144.82 94.4 2.54 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.66 1.584 . . . . 10.0 110.232 -173.587 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.61 -178.43 6.73 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.895 1.278 . . . . 10.0 112.727 171.527 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -85.42 146.08 43.79 Favored Pre-proline 0 CA--C 1.547 0.848 0 O-C-N 121.199 -0.938 . . . . 10.0 113.083 -168.374 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -73.54 55.96 3.26 Favored 'Trans proline' 0 CA--C 1.545 1.035 1 C-N-CA 126.21 4.607 . . . . 10.0 113.43 -173.728 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 176.6 -3.65 0.03 OUTLIER Glycine 0 CA--C 1.539 1.544 0 C-N-CA 126.895 2.188 . . . . 10.0 114.395 178.154 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.7 tt -66.72 -23.14 30.71 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 CA-C-N 119.24 1.52 . . . . 10.0 114.119 -169.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.6 t -79.39 -48.71 20.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 124.263 1.025 . . . . 10.0 109.408 171.409 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.9 -40.73 70.1 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.387 1.875 . . . . 10.0 111.772 179.508 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -63.98 -33.16 75.1 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 118.593 -0.718 . . . . 10.0 112.427 171.668 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.51 -42.74 86.87 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 119.781 1.173 . . . . 10.0 110.827 175.075 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.4 t -66.18 -47.77 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 C-N-CA 122.976 0.51 . . . . 10.0 110.364 178.408 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -58.9 -41.48 87.29 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.658 0.783 . . . . 10.0 112.0 172.693 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.81 -39.39 94.12 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.163 -0.961 . . . . 10.0 111.377 175.556 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.15 -41.85 99.35 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 118.908 0.777 . . . . 10.0 112.333 170.243 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -63.66 -43.2 97.45 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 119.21 0.914 . . . . 10.0 112.792 175.736 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -64.76 -41.68 95.71 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.727 1.149 . . . . 10.0 110.656 173.888 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 38.7 m -64.91 -31.51 72.77 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-O 117.95 -1.024 . . . . 10.0 112.41 -179.769 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -63.17 -47.19 83.67 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 119.878 1.217 . . . . 10.0 111.469 176.36 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.99 -41.24 87.09 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 118.783 -0.627 . . . . 10.0 111.538 178.093 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . 0.361 58.6 m -77.61 -17.74 57.5 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 115.106 1.521 . . . . 10.0 115.106 176.649 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -65.76 -36.43 83.54 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.055 -1.028 . . . . 10.0 109.242 164.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.5 mt -74.43 -34.27 63.17 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 118.036 -0.983 . . . . 10.0 112.202 171.952 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -56.7 -36.96 70.26 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.143 0.883 . . . . 10.0 108.662 166.934 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -75.64 -4.15 74.83 Favored Glycine 0 C--N 1.345 1.057 0 C-N-CA 125.021 1.296 . . . . 10.0 114.149 -177.661 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -121.81 -16.61 7.6 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 114.209 1.188 . . . . 10.0 114.209 179.281 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 82.1 mtm180 -148.15 -31.33 0.28 Allowed 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 116.143 1.905 . . . . 10.0 116.143 -174.812 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 . . . . . 0 C--O 1.256 1.396 0 CA-C-O 115.979 -1.962 . . . . 10.0 111.391 -166.453 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.484 1.23 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 m -172.65 -36.32 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.409 1.483 . . . . 10.0 111.079 171.265 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.424 ' H ' HD22 ' A' ' 3' ' ' LEU . 1.6 pt? -67.02 166.33 13.91 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 122.996 0.519 . . . . 10.0 109.966 166.81 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.47 178.15 7.52 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.921 0.888 . . . . 10.0 111.114 -175.189 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -58.84 113.52 2.1 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.866 0.867 . . . . 10.0 108.662 169.019 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 mp -74.54 116.55 15.36 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 121.313 0.578 . . . . 10.0 110.532 -168.666 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.5 t -141.68 -169.41 2.89 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.102 1.361 . . . . 10.0 110.188 177.125 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -48.47 -36.37 14.9 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.55 1.54 . . . . 10.0 113.159 -177.093 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.44 -48.84 60.51 Favored Glycine 0 CA--C 1.533 1.182 0 CA-C-O 119.372 -0.682 . . . . 10.0 113.661 176.95 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.98 -42.75 89.44 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.696 1.248 . . . . 10.0 110.907 177.052 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.4 mp -65.08 -37.9 89.02 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 118.448 -0.787 . . . . 10.0 112.624 176.772 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -66.73 -45.8 77.51 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 119.338 0.972 . . . . 10.0 111.625 169.413 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -59.57 -44.3 93.33 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 119.6 1.091 . . . . 10.0 111.408 178.87 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.0 mt -65.12 -46.53 90.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 C-N-CA 123.416 0.686 . . . . 10.0 110.466 175.181 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.3 m -64.64 -38.39 90.83 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.382 -0.824 . . . . 10.0 111.406 -178.28 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.0 t -67.58 -43.45 80.52 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.439 1.495 . . . . 10.0 112.019 172.7 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -56.83 -42.51 79.77 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 119.158 0.89 . . . . 10.0 111.459 172.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.3 mt -69.37 -47.22 64.92 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 118.395 -0.812 . . . . 10.0 111.915 176.911 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -56.45 -49.92 73.2 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.669 1.122 . . . . 10.0 111.732 174.32 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -63.03 -34.93 78.62 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 118.961 -0.542 . . . . 10.0 111.41 178.94 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.8 m -61.1 -46.08 92.07 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 118.961 0.8 . . . . 10.0 111.368 174.771 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 52.5 mt -66.03 -48.29 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-N 118.532 0.606 . . . . 10.0 110.689 175.934 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.5 m -60.71 -45.3 94.75 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.188 0.595 . . . . 10.0 111.83 -178.408 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.04 -38.85 90.28 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 114.088 1.144 . . . . 10.0 114.088 169.029 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -62.88 -45.81 90.81 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 120.345 1.43 . . . . 10.0 110.268 176.176 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.1 mt -60.11 -53.04 54.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-O 118.04 -0.981 . . . . 10.0 109.62 177.844 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.4 mp -62.74 -13.75 36.38 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 114.264 1.209 . . . . 10.0 114.264 179.308 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -107.5 4.68 26.38 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.218 1.407 . . . . 10.0 112.157 175.576 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.8 tpt85 -125.05 -29.39 3.33 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.043 1.737 . . . . 10.0 113.305 -179.917 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.7 t -143.16 144.09 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 128.298 2.639 . . . . 10.0 108.655 170.341 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.7 t -73.06 136.46 44.97 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 120.623 -1.298 . . . . 10.0 112.298 177.307 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.89 -24.81 3.87 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.631 1.572 . . . . 10.0 113.323 168.631 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -63.26 -43.13 98.85 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.906 1.23 . . . . 10.0 111.224 169.812 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -73.13 -12.78 61.02 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.222 1.409 . . . . 10.0 112.232 -176.365 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 86.1 mt -105.71 128.11 60.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 C-N-CA 128.119 2.568 . . . . 10.0 109.272 -175.055 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.1 t -73.32 -50.33 31.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 123.542 0.737 . . . . 10.0 109.542 169.294 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -162.11 174.66 12.66 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.399 0.679 . . . . 10.0 112.688 172.058 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.0 pt -133.67 143.04 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 125.273 1.429 . . . . 10.0 110.563 172.554 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -123.38 117.58 25.52 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 108.432 -0.951 . . . . 10.0 108.432 177.689 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.9 mt -131.14 121.75 49.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 108.538 -0.912 . . . . 10.0 108.538 -174.284 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.2 m -119.84 126.87 52.03 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 124.88 1.272 . . . . 10.0 109.1 176.459 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 67.9 t -115.53 130.12 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.122 0 N-CA-C 107.042 -1.466 . . . . 10.0 107.042 169.32 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 72.2 mt -117.68 139.27 51.25 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 124.923 1.289 . . . . 10.0 108.398 172.898 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.8 p -139.1 131.07 36.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 108.421 -0.955 . . . . 10.0 108.421 178.155 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -139.19 155.48 47.79 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.926 1.29 . . . . 10.0 110.415 -169.778 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -142.35 102.34 4.07 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 108.784 -0.821 . . . . 10.0 108.784 175.791 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.413 ' C ' ' H ' ' A' ' 49' ' ' GLU . 81.2 m -131.7 89.4 2.69 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 120.93 -1.106 . . . . 10.0 109.435 173.914 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.7 t70 63.7 -28.94 0.09 Allowed 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 127.093 2.157 . . . . 10.0 114.205 -168.942 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.413 ' H ' ' C ' ' A' ' 47' ' ' THR . 38.2 tt0 -129.72 154.65 46.97 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 127.249 2.22 . . . . 10.0 110.149 171.168 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 53.1 tp -85.37 129.21 34.86 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.308 1.843 . . . . 10.0 110.048 177.799 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 56.1 tttm -131.77 142.2 49.69 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.809 1.243 . . . . 10.0 110.406 -178.295 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 86.9 t -136.15 141.24 42.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 125.424 1.49 . . . . 10.0 108.482 176.773 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -137.39 137.45 38.85 Favored 'General case' 0 C--O 1.233 0.237 0 C-N-CA 125.35 1.46 . . . . 10.0 107.871 179.631 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.6 mt -132.1 131.61 61.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 N-CA-C 109.21 -0.663 . . . . 10.0 109.21 179.062 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 65.5 m -131.81 133.16 44.39 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 124.377 1.071 . . . . 10.0 110.303 169.169 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.22 147.54 52.61 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.42 1.088 . . . . 10.0 110.824 177.657 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.93 147.48 48.12 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 125.828 1.651 . . . . 10.0 111.239 -176.64 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -127.84 104.38 7.79 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 125.849 1.66 . . . . 10.0 109.004 -169.865 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -103.57 102.85 12.74 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.095 -1.076 . . . . 10.0 108.095 175.671 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 39.3 mt -88.64 152.1 22.04 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.898 2.079 . . . . 10.0 111.775 -175.267 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -59.46 147.09 37.86 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 121.061 0.458 . . . . 10.0 111.07 169.436 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -67.75 7.6 0.48 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 126.388 1.875 . . . . 10.0 113.323 -177.499 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 93.0 mt -129.37 3.39 5.13 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 127.749 2.42 . . . . 10.0 111.964 178.533 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.6 m -88.83 162.9 15.92 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.943 1.297 . . . . 10.0 111.635 175.339 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -158.01 110.7 2.38 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.298 1.439 . . . . 10.0 107.662 -177.479 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -131.95 -178.47 4.9 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 126.503 1.921 . . . . 10.0 112.631 -172.219 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -85.51 143.71 39.12 Favored Pre-proline 0 CA--C 1.546 0.825 0 O-C-N 120.904 -1.122 . . . . 10.0 112.572 -168.724 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -74.48 46.21 1.38 Allowed 'Trans proline' 0 CA--C 1.547 1.17 1 C-N-CA 125.865 4.377 . . . . 10.0 113.696 -176.257 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.09 13.61 0.02 OUTLIER Glycine 0 CA--C 1.539 1.588 0 C-N-CA 127.067 2.27 . . . . 10.0 114.291 177.007 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.0 tt -63.83 -25.42 38.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-N 118.67 1.235 . . . . 10.0 114.064 -169.252 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.3 p -86.07 -38.4 12.65 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.184 0 C-N-CA 124.56 1.144 . . . . 10.0 112.259 175.022 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -54.45 -36.5 64.14 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.753 1.221 . . . . 10.0 111.002 174.752 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -63.72 -40.78 97.61 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.584 0.754 . . . . 10.0 111.75 171.793 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.2 -43.18 78.62 Favored 'General case' 0 C--N 1.345 0.375 0 CA-C-N 118.65 0.659 . . . . 10.0 111.672 177.515 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.8 t -67.91 -45.26 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 O-C-N 122.043 -0.411 . . . . 10.0 110.508 -179.839 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -58.9 -37.33 76.37 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.114 0.966 . . . . 10.0 112.147 170.85 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.445 ' N ' HH21 ' A' ' 80' ' ' ARG . . . -62.94 -40.57 98.05 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 120.105 -1.622 . . . . 10.0 111.772 172.64 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.09 -43.12 88.2 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 118.524 -0.751 . . . . 10.0 112.67 171.364 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -62.35 -43.03 99.77 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 120.189 1.359 . . . . 10.0 112.541 177.298 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.445 HH21 ' N ' ' A' ' 77' ' ' ALA . 87.5 mtm180 -67.87 -32.17 72.49 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.429 0.692 . . . . 10.0 111.906 174.103 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 40.0 m -70.03 -34.9 73.87 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.318 0.647 . . . . 10.0 112.081 172.589 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -66.34 -46.57 76.35 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.27 1.028 . . . . 10.0 111.012 173.049 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -58.84 -41.27 86.53 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 122.088 -0.382 . . . . 10.0 111.443 173.048 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.2 m -65.55 -36.25 83.25 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.174 0.989 . . . . 10.0 112.304 175.334 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -65.65 -42.2 91.69 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.269 -0.894 . . . . 10.0 111.614 176.545 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -73.99 -34.1 64.08 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.109 0.868 . . . . 10.0 112.486 175.048 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -55.33 -40.06 70.73 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.757 0.708 . . . . 10.0 109.35 167.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.54 -2.05 9.85 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 124.851 1.215 . . . . 10.0 115.441 175.732 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -133.27 -14.63 2.6 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 115.468 1.655 . . . . 10.0 115.468 178.709 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -138.65 -18.29 1.08 Allowed 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 115.691 1.737 . . . . 10.0 115.691 177.724 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 . . . . . 0 C--O 1.251 1.152 0 CA-C-N 119.331 0.969 . . . . 10.0 110.757 -168.058 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.2 mtm . . . . . 0 N--CA 1.482 1.126 0 CA-C-O 119.101 -0.476 . . . . 10.0 110.172 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.8 m 48.16 54.52 10.09 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 115.734 1.753 . . . . 10.0 115.734 168.455 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 76.1 mt -48.51 157.97 0.32 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.343 1.457 . . . . 10.0 113.82 175.209 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -110.07 179.15 4.18 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.93 1.692 . . . . 10.0 110.556 -178.822 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -63.99 107.78 1.34 Allowed 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 107.158 -1.423 . . . . 10.0 107.158 171.37 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.9 mt -74.42 111.74 9.91 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-O 121.575 0.702 . . . . 10.0 110.959 -166.725 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.9 t -140.15 -168.19 2.48 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.214 1.406 . . . . 10.0 110.172 179.521 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -47.35 -37.5 11.23 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.874 1.67 . . . . 10.0 113.411 -175.791 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.33 -50.71 36.73 Favored Glycine 0 CA--C 1.533 1.177 0 CA-C-N 118.93 0.786 . . . . 10.0 113.6 178.237 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.87 -43.54 98.53 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 118.294 1.047 . . . . 10.0 110.244 178.602 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.3 mp -65.68 -42.56 91.12 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.58 1.152 . . . . 10.0 112.437 177.733 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -61.59 -46.23 90.75 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.398 0.999 . . . . 10.0 111.173 171.55 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -61.77 -44.16 97.44 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 118.77 0.714 . . . . 10.0 111.788 -179.289 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 84.7 mt -65.01 -42.87 95.82 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 122.945 0.498 . . . . 10.0 110.597 174.5 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.0 p -58.93 -38.08 78.14 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 118.974 0.806 . . . . 10.0 112.713 173.744 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.4 t -70.92 -42.15 70.26 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 124.804 1.242 . . . . 10.0 111.175 177.576 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -58.8 -42.63 89.55 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.881 0.764 . . . . 10.0 111.475 172.763 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.8 mt -66.9 -50.19 63.22 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 118.776 -0.63 . . . . 10.0 111.781 176.543 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -57.72 -49.87 75.11 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 119.226 0.921 . . . . 10.0 111.673 177.403 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -61.48 -37.53 83.96 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 118.615 -0.707 . . . . 10.0 111.115 178.528 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.2 m -61.11 -45.82 93.12 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 118.986 0.812 . . . . 10.0 111.832 175.721 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 59.5 mt -64.53 -47.55 88.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 118.878 0.763 . . . . 10.0 110.528 175.556 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.7 m -62.34 -42.77 99.66 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 118.436 0.562 . . . . 10.0 112.315 -178.909 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -65.49 -38.59 90.19 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.483 0.713 . . . . 10.0 111.913 172.085 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -61.32 -45.54 94.01 Favored 'General case' 0 C--N 1.345 0.371 0 CA-C-N 119.046 0.839 . . . . 10.0 111.061 173.232 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 63.6 mt -59.9 -47.69 90.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 118.902 0.774 . . . . 10.0 109.69 177.157 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.79 -26.99 67.67 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.749 1.018 . . . . 10.0 113.749 174.27 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.7 7.25 42.56 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.929 1.085 . . . . 10.0 113.929 171.533 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.82 -38.49 2.73 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.692 1.197 . . . . 10.0 114.151 178.758 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.9 t -148.18 153.27 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 125.682 1.593 . . . . 10.0 109.693 -177.065 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.5 t -84.67 136.49 33.72 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 115.151 1.537 . . . . 10.0 115.151 -169.287 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.02 -24.58 3.88 Favored 'General case' 0 CA--C 1.55 0.944 0 O-C-N 120.921 -1.112 . . . . 10.0 112.929 166.571 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -71.07 -10.22 59.38 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.839 1.422 . . . . 10.0 114.839 174.761 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -129.69 -21.52 3.08 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.532 1.533 . . . . 10.0 112.94 178.436 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.6 mm -70.86 110.74 4.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 N-CA-C 106.745 -1.576 . . . . 10.0 106.745 168.441 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.4 t -68.88 -47.41 76.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 C-N-CA 124.479 1.112 . . . . 10.0 109.718 175.434 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -162.58 177.02 9.8 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.062 0.945 . . . . 10.0 111.558 174.16 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.2 pt -141.07 138.01 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 125.131 1.372 . . . . 10.0 111.475 173.189 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -105.37 123.94 48.72 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 107.375 -1.342 . . . . 10.0 107.375 167.35 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 72.3 mt -131.11 122.6 51.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 N-CA-C 108.142 -1.058 . . . . 10.0 108.142 173.399 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 90.1 m -119.85 126.59 51.35 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 124.698 1.199 . . . . 10.0 109.174 175.752 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 66.8 t -115.45 129.29 71.98 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.097 0 N-CA-C 106.734 -1.58 . . . . 10.0 106.734 169.202 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 74.6 mt -117.68 139.29 51.22 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 125.092 1.357 . . . . 10.0 108.15 174.75 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.6 p -135.33 131.95 52.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 107.41 -1.329 . . . . 10.0 107.41 174.832 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -143.11 156.63 44.84 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.477 1.111 . . . . 10.0 110.488 -167.0 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -137.51 112.4 8.98 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 109.521 -0.548 . . . . 10.0 109.521 -178.065 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 99.4 m -131.84 85.83 2.28 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.153 -0.967 . . . . 10.0 109.481 171.309 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.4 t70 64.63 -35.08 0.17 Allowed 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 127.293 2.237 . . . . 10.0 113.82 -168.593 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -120.78 157.48 29.62 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 127.987 2.515 . . . . 10.0 110.566 170.877 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -85.32 129.13 34.87 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 126.438 1.895 . . . . 10.0 109.506 178.785 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 tmmt? -131.34 150.22 52.24 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.304 1.042 . . . . 10.0 110.647 177.608 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.5 t -132.27 145.05 35.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 125.383 1.473 . . . . 10.0 108.542 177.735 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.48 138.55 49.03 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.936 1.694 . . . . 10.0 107.638 175.382 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 24.9 mt -132.06 130.68 61.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 N-CA-C 109.025 -0.732 . . . . 10.0 109.025 178.271 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.8 m -131.97 138.24 48.22 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 123.772 0.829 . . . . 10.0 110.703 168.505 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.23 151.19 51.72 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.201 1.0 . . . . 10.0 109.975 172.111 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -141.66 146.05 35.68 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.798 1.239 . . . . 10.0 110.433 173.654 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -120.01 105.76 11.35 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 126.677 1.991 . . . . 10.0 110.324 -167.66 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -92.04 102.92 15.48 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 108.436 -0.95 . . . . 10.0 108.436 174.389 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.8 mt -92.64 151.81 19.9 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 124.813 1.245 . . . . 10.0 111.038 172.052 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -58.95 147.02 35.84 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 121.241 0.543 . . . . 10.0 111.306 169.025 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -69.28 9.85 0.39 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.258 1.423 . . . . 10.0 114.506 -174.745 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.1 mt -124.47 1.3 8.31 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.673 1.989 . . . . 10.0 112.808 179.938 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.4 164.8 12.31 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.298 0.954 . . . . 10.0 112.309 172.258 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -155.44 107.44 2.64 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.156 1.782 . . . . 10.0 107.265 -171.688 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -130.03 -177.36 4.27 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.534 1.934 . . . . 10.0 111.621 -174.673 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -85.23 135.13 39.5 Favored Pre-proline 0 CA--C 1.548 0.89 0 O-C-N 120.719 -1.238 . . . . 10.0 112.394 -166.714 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -74.99 62.4 5.85 Favored 'Trans proline' 0 C--N 1.356 0.943 1 C-N-CA 125.8 4.334 . . . . 10.0 112.786 -169.889 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.1 -8.73 0.03 OUTLIER Glycine 0 CA--C 1.533 1.179 0 C-N-CA 125.013 1.292 . . . . 10.0 115.211 -177.242 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 31.6 mt -53.84 -31.19 20.18 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 CA-C-N 120.051 1.925 . . . . 10.0 113.999 -178.84 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.6 t -60.76 -60.59 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 123.786 0.835 . . . . 10.0 110.029 171.173 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -57.12 -37.36 71.87 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 125.318 1.447 . . . . 10.0 111.311 179.066 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.64 -37.43 87.33 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 118.741 -0.647 . . . . 10.0 110.837 174.392 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.77 -41.75 82.77 Favored 'General case' 0 C--N 1.343 0.322 0 CA-C-N 119.263 0.938 . . . . 10.0 111.151 -179.875 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.9 t -72.91 -43.05 60.27 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 122.598 0.359 . . . . 10.0 111.139 179.695 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -58.82 -39.2 80.49 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.28 1.832 . . . . 10.0 112.304 171.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.59 -44.69 93.32 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.357 -0.839 . . . . 10.0 111.553 170.509 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.71 -43.49 94.1 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.913 0.778 . . . . 10.0 112.217 173.24 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -62.39 -43.23 99.31 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.847 0.749 . . . . 10.0 112.341 177.226 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 23.1 mtt85 -71.44 -27.07 63.02 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.325 0.966 . . . . 10.0 113.077 173.7 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.7 p -63.19 -42.23 99.31 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 118.811 0.732 . . . . 10.0 110.897 169.486 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.2 tp -67.97 -44.13 77.42 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.075 0.95 . . . . 10.0 111.187 178.668 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -58.8 -41.23 86.28 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.302 1.041 . . . . 10.0 111.343 173.572 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.1 m -72.39 -28.89 63.29 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.025 0.93 . . . . 10.0 112.84 176.204 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -79.16 -42.43 26.16 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.931 0.892 . . . . 10.0 111.618 -177.461 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -67.86 -26.84 66.23 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.719 1.145 . . . . 10.0 113.307 178.635 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -63.16 1.15 0.5 Allowed 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 126.866 2.066 . . . . 10.0 112.825 167.552 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -138.07 19.19 3.29 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 125.85 1.69 . . . . 10.0 112.836 168.945 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -137.78 -27.17 0.93 Allowed 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 115.379 1.622 . . . . 10.0 115.379 -177.532 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 33.8 mtp85 -117.35 -40.51 3.06 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.556 1.071 . . . . 10.0 113.812 177.393 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.114 0 C-N-CA 126.681 1.992 . . . . 10.0 110.062 -172.945 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mmt . . . . . 0 N--CA 1.48 1.072 0 N-CA-C 110.211 -0.292 . . . . 10.0 110.211 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 m -167.9 126.52 1.24 Allowed 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.107 1.363 . . . . 10.0 108.93 169.799 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.8 mt -73.0 169.0 17.88 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.854 0.862 . . . . 10.0 111.801 175.382 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 27.2 mmt85 -122.08 -166.28 1.38 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.339 1.856 . . . . 10.0 109.07 170.369 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.02 131.64 40.99 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 121.419 -0.8 . . . . 10.0 110.372 174.374 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.2 mt -74.82 106.94 6.6 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 121.841 -0.537 . . . . 10.0 110.207 -172.931 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.405 ' C ' ' H ' ' A' ' 9' ' ' GLY . 6.3 t -149.75 -169.08 3.28 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 126.093 1.757 . . . . 10.0 108.734 -174.894 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.53 21.78 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 129.929 3.292 . . . . 10.0 114.604 -169.299 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.405 ' H ' ' C ' ' A' ' 7' ' ' THR . . . -136.07 -56.21 0.06 OUTLIER Glycine 0 CA--C 1.528 0.875 0 C-N-CA 127.289 2.376 . . . . 10.0 110.331 173.808 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -61.74 -41.19 97.34 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.172 0.986 . . . . 10.0 112.727 175.172 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.8 mt -68.57 -36.3 78.56 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.687 -0.633 . . . . 10.0 111.741 176.722 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -67.7 -42.27 82.26 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.24 0.616 . . . . 10.0 111.328 173.661 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -58.74 -44.06 90.4 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.921 0.888 . . . . 10.0 111.408 173.496 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 79.1 mt -67.14 -45.14 87.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-O 118.62 -0.705 . . . . 10.0 111.643 176.187 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.3 m -59.32 -38.17 79.6 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 120.1 1.318 . . . . 10.0 111.731 172.37 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.7 t -66.06 -43.83 86.31 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.178 -0.952 . . . . 10.0 112.025 174.922 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -61.06 -41.12 96.0 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.179 0.992 . . . . 10.0 111.79 174.745 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.5 mt -63.85 -48.72 75.64 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.859 0.864 . . . . 10.0 111.737 174.104 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -58.51 -48.87 79.41 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 118.42 0.554 . . . . 10.0 111.405 176.002 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.15 -37.48 85.38 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-O 118.539 -0.743 . . . . 10.0 111.482 176.65 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.7 m -60.99 -47.17 87.7 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.156 0.889 . . . . 10.0 110.771 178.786 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 65.8 mt -65.66 -43.38 93.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-N 118.382 0.537 . . . . 10.0 110.722 176.206 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.4 t -58.39 -50.92 71.96 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 122.916 0.486 . . . . 10.0 111.956 176.928 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.16 -39.0 77.7 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 112.941 0.719 . . . . 10.0 112.941 171.706 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.439 ' CE1' ' HD3' ' A' ' 29' ' ' ARG . 31.4 t80 -66.82 -45.77 77.25 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.657 0.662 . . . . 10.0 110.946 -179.522 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 87.5 mt -62.34 -47.51 92.71 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 C-N-CA 124.078 0.951 . . . . 10.0 110.361 176.502 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.09 -9.11 19.9 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.694 0.998 . . . . 10.0 113.694 176.713 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.8 mtmt -117.65 18.45 14.18 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.034 1.734 . . . . 10.0 112.087 170.859 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.439 ' HD3' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -120.6 -41.3 2.59 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 127.451 2.3 . . . . 10.0 113.215 168.893 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.4 t -144.25 152.1 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.599 1.56 . . . . 10.0 109.757 -174.08 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.1 t -80.74 136.51 36.17 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 115.336 1.606 . . . . 10.0 115.336 -169.928 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.62 -24.62 3.41 Favored 'General case' 0 CA--C 1.551 0.981 0 O-C-N 120.776 -1.202 . . . . 10.0 112.603 165.314 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -74.82 -11.32 60.12 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 115.043 1.498 . . . . 10.0 115.043 175.073 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -127.22 -22.28 3.76 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.547 1.139 . . . . 10.0 112.522 179.737 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.1 mm -70.88 116.79 13.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 N-CA-C 106.566 -1.642 . . . . 10.0 106.566 167.056 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.2 t -71.29 -49.25 49.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 C-N-CA 123.707 0.803 . . . . 10.0 109.61 170.244 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -163.64 176.12 9.95 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.776 0.831 . . . . 10.0 112.183 171.082 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.7 pt -134.78 142.97 38.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 124.861 1.264 . . . . 10.0 110.564 171.738 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -127.51 116.47 20.44 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 123.992 0.917 . . . . 10.0 108.665 179.39 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.2 mt -131.14 120.06 45.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 N-CA-C 108.671 -0.863 . . . . 10.0 108.671 -173.697 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 41.3 m -119.86 117.24 27.62 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 123.884 0.874 . . . . 10.0 108.728 171.303 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -116.18 117.94 57.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 C-N-CA 125.107 1.363 . . . . 10.0 111.459 172.599 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 mp -116.93 139.24 50.88 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 125.833 1.653 . . . . 10.0 109.775 -171.753 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.7 p -135.47 140.97 43.68 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 124.172 0.989 . . . . 10.0 110.187 -176.821 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -140.14 159.56 41.92 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 127.181 2.192 . . . . 10.0 110.7 -173.036 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -134.09 98.96 4.27 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 105.286 -2.116 . . . . 10.0 105.286 164.815 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 92.3 m -131.62 80.55 1.93 Allowed 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 106.208 -1.775 . . . . 10.0 106.208 -173.329 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.5 t70 60.95 -43.89 0.12 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 127.517 2.327 . . . . 10.0 112.965 -165.735 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.475 ' CD ' ' HZ1' ' A' ' 51' ' ' LYS . 35.2 mt-10 -98.31 154.01 18.12 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.823 2.049 . . . . 10.0 109.963 168.037 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.5 tp -85.27 122.34 29.31 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 105.201 -2.148 . . . . 10.0 105.201 165.561 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.475 ' HZ1' ' CD ' ' A' ' 49' ' ' GLU . 9.1 mttt -135.88 137.36 41.36 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.93 0.395 . . . . 10.0 111.15 -175.781 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.7 p -136.15 137.93 47.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 C-N-CA 125.131 1.372 . . . . 10.0 108.29 177.139 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -136.82 146.31 45.5 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 124.09 0.956 . . . . 10.0 110.905 178.049 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 17.1 mt -132.0 117.21 32.58 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 124.787 1.235 . . . . 10.0 109.843 -166.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.3 t -116.18 125.01 51.71 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 124.359 1.064 . . . . 10.0 108.972 174.592 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.22 141.83 50.08 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.39 1.076 . . . . 10.0 110.693 178.905 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.35 147.51 52.58 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 125.989 1.716 . . . . 10.0 111.137 -176.622 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -126.8 104.4 8.04 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 125.692 1.597 . . . . 10.0 108.746 -169.947 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -103.13 117.46 34.6 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.324 -0.991 . . . . 10.0 108.324 175.89 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 16.8 mt -122.47 151.81 40.93 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 127.231 2.212 . . . . 10.0 110.704 -168.336 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -66.77 146.91 53.94 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 112.66 0.615 . . . . 10.0 112.66 179.099 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.07 -10.79 43.64 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.317 1.447 . . . . 10.0 114.565 -177.869 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.9 mp -104.01 0.09 29.47 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 119.768 1.167 . . . . 10.0 112.444 170.835 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 61.7 p -76.84 169.73 17.78 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.93 0.892 . . . . 10.0 113.264 177.284 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -158.56 106.28 1.89 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.647 1.579 . . . . 10.0 107.993 179.231 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -131.36 173.9 10.61 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.18 1.792 . . . . 10.0 111.713 -177.681 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -85.32 139.73 36.31 Favored Pre-proline 0 CA--C 1.547 0.833 0 O-C-N 121.147 -0.971 . . . . 10.0 113.442 -166.15 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -75.17 48.75 2.12 Favored 'Trans proline' 0 CA--C 1.545 1.058 1 C-N-CA 126.265 4.643 . . . . 10.0 113.416 -172.138 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.05 3.89 0.02 OUTLIER Glycine 0 CA--C 1.537 1.421 0 C-N-CA 127.1 2.286 . . . . 10.0 114.436 -177.677 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.5 tt -63.08 -20.44 25.84 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 CA-C-N 119.792 1.796 . . . . 10.0 114.328 -174.599 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.8 p -86.0 -32.73 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 C-N-CA 124.665 1.186 . . . . 10.0 112.695 169.773 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.24 -36.09 76.96 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 119.095 0.861 . . . . 10.0 110.158 171.538 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -63.64 -40.75 97.66 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 119.059 -0.496 . . . . 10.0 110.54 171.246 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.1 -43.8 77.68 Favored 'General case' 0 C--N 1.343 0.324 0 CA-C-N 119.35 0.977 . . . . 10.0 112.416 -177.359 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.405 HG11 ' CE2' ' A' ' 79' ' ' TYR . 9.2 t -72.21 -40.73 66.18 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-O 118.873 -0.584 . . . . 10.0 110.517 -179.849 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -58.68 -42.81 89.39 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.64 1.176 . . . . 10.0 111.754 170.114 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.23 -40.08 96.44 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 118.745 -0.645 . . . . 10.0 111.968 173.912 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.8 -44.8 95.2 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.26 0.936 . . . . 10.0 112.315 172.637 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.405 ' CE2' HG11 ' A' ' 75' ' ' VAL . 47.6 m-85 -61.65 -43.14 99.42 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 118.953 0.797 . . . . 10.0 112.242 176.103 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 75.8 mtt-85 -72.18 -36.02 69.13 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.693 -0.63 . . . . 10.0 112.348 177.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 42.2 t -63.01 -43.5 98.57 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 123.831 0.852 . . . . 10.0 109.958 173.383 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 46.3 tp -66.15 -47.61 73.46 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-O 118.478 -0.772 . . . . 10.0 112.594 -178.911 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -73.3 -28.15 61.93 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 119.431 1.014 . . . . 10.0 110.765 -178.698 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.2 m -63.98 -50.21 69.44 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.222 0.464 . . . . 10.0 110.644 169.25 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -60.68 -36.45 78.78 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.206 1.003 . . . . 10.0 112.505 177.858 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -67.79 -8.75 38.47 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 117.52 -1.229 . . . . 10.0 113.796 173.219 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -59.93 -16.41 29.6 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 120.873 1.669 . . . . 10.0 113.001 169.524 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -90.55 -2.72 72.54 Favored Glycine 0 CA--C 1.533 1.206 0 CA-C-O 118.527 -1.152 . . . . 10.0 114.077 172.962 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -143.5 -14.23 0.67 Allowed 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 116.309 1.966 . . . . 10.0 116.309 -168.924 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 30.4 mtp85 -132.1 -5.01 3.48 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 116.601 2.074 . . . . 10.0 116.601 -176.464 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 . . . . . 0 C--O 1.251 1.14 0 CA-C-O 117.581 -1.199 . . . . 10.0 111.925 -179.866 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 86.3 mt . . . . . 0 CA--C 1.534 0.331 0 CA-C-O 121.162 0.506 . . . . 10.0 110.916 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.5 t -128.91 -171.22 2.42 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.215 1.406 . . . . 10.0 109.54 170.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -42.94 -45.25 4.94 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.922 1.689 . . . . 10.0 112.825 -175.188 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.46 -56.66 22.07 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 123.719 0.676 . . . . 10.0 113.245 178.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.44 -42.22 98.67 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.333 1.053 . . . . 10.0 110.299 -177.235 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.3 mt -67.93 -40.28 83.37 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.561 1.144 . . . . 10.0 110.74 -178.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . 0.308 6.3 m-20 -70.32 -35.36 73.58 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 115.51 1.67 . . . . 10.0 115.51 168.327 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -54.89 -42.14 71.77 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 121.135 1.789 . . . . 10.0 110.348 169.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 83.5 mt -68.18 -44.62 84.09 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 CA-C-O 118.288 -0.863 . . . . 10.0 112.091 171.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 p -58.81 -40.63 84.64 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 120.34 1.427 . . . . 10.0 111.595 177.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.6 t -68.6 -43.95 75.38 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.648 1.579 . . . . 10.0 111.688 175.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -60.01 -42.37 94.16 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 118.692 0.678 . . . . 10.0 111.845 174.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.0 mt -65.61 -46.9 77.56 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.814 0.846 . . . . 10.0 111.805 175.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -58.31 -49.05 78.54 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 118.742 0.701 . . . . 10.0 111.904 176.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.69 -40.29 91.66 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-O 118.714 -0.66 . . . . 10.0 111.192 174.71 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.3 m -60.93 -45.3 95.22 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 118.843 0.747 . . . . 10.0 110.81 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.532 HG23 ' HB1' ' A' ' 74' ' ' ALA . 57.3 mt -66.15 -46.45 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 118.934 0.788 . . . . 10.0 111.072 174.213 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.3 t -60.57 -50.46 73.43 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.623 0.647 . . . . 10.0 112.085 -177.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -63.79 -35.27 80.05 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.098 0.959 . . . . 10.0 111.865 175.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.466 ' CE1' ' HD3' ' A' ' 29' ' ' ARG . 22.9 t80 -65.42 -45.0 85.59 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.439 -0.788 . . . . 10.0 111.949 172.734 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.6 mt -60.05 -45.08 96.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 O-C-N 121.029 -1.044 . . . . 10.0 109.348 174.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.6 mp -64.07 -27.41 69.08 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.794 1.035 . . . . 10.0 113.794 175.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.8 ptmt -86.85 6.61 30.95 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 119.935 1.243 . . . . 10.0 113.381 169.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.466 ' HD3' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -113.7 -48.84 2.91 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 126.148 1.779 . . . . 10.0 113.316 174.109 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.5 p -151.56 146.07 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 125.021 1.329 . . . . 10.0 110.107 -178.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.0 t -68.36 136.96 54.18 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 114.403 1.26 . . . . 10.0 114.403 -169.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.62 -24.43 3.28 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.433 1.493 . . . . 10.0 112.891 168.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -91.92 -9.91 41.46 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 114.577 1.325 . . . . 10.0 114.577 175.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -92.69 -20.26 20.99 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 125.41 1.484 . . . . 10.0 111.383 169.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.9 mt -79.54 128.41 38.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 130.99 3.716 . . . . 10.0 110.891 172.103 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 23.4 t -74.06 -50.62 27.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 123.968 0.907 . . . . 10.0 108.937 166.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -162.45 174.56 12.55 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.144 0.794 . . . . 10.0 113.144 170.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.4 pt -132.16 141.87 44.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 125.35 1.46 . . . . 10.0 110.156 170.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -127.43 111.1 13.46 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 124.231 1.012 . . . . 10.0 108.352 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.4 mt -129.44 118.86 46.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 109.046 -0.724 . . . . 10.0 109.046 -173.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.0 m -119.77 117.98 29.65 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 124.751 1.221 . . . . 10.0 108.378 175.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 68.0 t -106.58 125.57 62.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 N-CA-C 107.224 -1.399 . . . . 10.0 107.224 173.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.1 mp -117.67 139.02 51.58 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.494 1.118 . . . . 10.0 108.533 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.6 p -139.66 134.87 39.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 108.444 -0.947 . . . . 10.0 108.444 176.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -143.86 157.42 44.38 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 124.146 0.978 . . . . 10.0 110.281 -169.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -139.87 108.19 5.82 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 109.589 -0.522 . . . . 10.0 109.589 177.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.36 80.58 1.94 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.819 1.248 . . . . 10.0 108.9 178.052 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.0 t70 62.74 -43.89 0.19 Allowed 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 127.409 2.283 . . . . 10.0 112.79 -167.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -106.56 159.68 16.0 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 127.018 2.127 . . . . 10.0 111.097 167.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 tt -93.05 129.39 39.01 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.575 1.95 . . . . 10.0 109.894 -175.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -121.57 141.37 51.15 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.369 0.668 . . . . 10.0 111.605 173.065 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.8 t -136.05 124.88 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 N-CA-C 106.408 -1.701 . . . . 10.0 106.408 172.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -133.23 125.52 29.55 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 124.561 1.145 . . . . 10.0 108.226 -173.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.487 HG21 HD11 ' A' ' 22' ' ' ILE . 37.9 mt -120.93 123.73 70.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 N-CA-C 108.259 -1.015 . . . . 10.0 108.259 -172.686 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 27.7 t -122.93 122.2 38.01 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 124.52 1.128 . . . . 10.0 108.904 176.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.25 139.91 49.74 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.024 0.93 . . . . 10.0 110.635 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -129.19 139.19 51.99 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 126.555 1.942 . . . . 10.0 109.278 175.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -128.13 112.73 14.88 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 125.631 1.572 . . . . 10.0 107.84 -172.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -113.96 102.89 10.62 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 108.649 -0.871 . . . . 10.0 108.649 -175.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.3 mt -85.12 152.07 23.66 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 126.105 1.762 . . . . 10.0 111.391 176.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -58.25 147.32 31.01 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.873 0.694 . . . . 10.0 112.873 171.515 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -68.5 41.12 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 128.77 2.828 . . . . 10.0 112.718 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.0 tt -160.58 -32.92 0.05 Allowed 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 128.71 2.804 . . . . 10.0 110.973 -169.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.5 m -64.96 162.1 17.22 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.738 1.615 . . . . 10.0 112.099 173.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -155.55 116.43 3.87 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.679 1.592 . . . . 10.0 106.867 -177.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -137.75 -176.58 4.47 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.713 2.005 . . . . 10.0 112.065 -173.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -85.29 143.81 39.83 Favored Pre-proline 0 CA--C 1.547 0.862 0 O-C-N 120.949 -1.094 . . . . 10.0 113.158 -166.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -74.74 51.51 2.71 Favored 'Trans proline' 0 CA--C 1.545 1.064 1 C-N-CA 126.079 4.519 . . . . 10.0 113.208 -174.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.01 -3.08 0.03 OUTLIER Glycine 0 CA--C 1.537 1.417 0 C-N-CA 127.323 2.392 . . . . 10.0 114.348 -177.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.9 tt -57.63 -25.81 25.7 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 N-CA-C 115.17 1.544 . . . . 10.0 115.17 -169.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.8 t -80.08 -51.33 16.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 124.975 1.31 . . . . 10.0 110.411 174.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -54.33 -36.08 63.39 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 125.614 1.566 . . . . 10.0 111.519 177.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -63.38 -36.48 83.85 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 122.843 0.457 . . . . 10.0 110.444 175.165 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.532 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -70.85 -41.87 70.89 Favored 'General case' 0 C--N 1.342 0.246 0 CA-C-N 119.083 0.856 . . . . 10.0 111.349 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.456 HG12 ' CE2' ' A' ' 79' ' ' TYR . 1.3 t -69.24 -45.99 78.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-O 119.264 -0.398 . . . . 10.0 110.087 -179.349 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -58.7 -42.48 88.71 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.121 1.368 . . . . 10.0 111.865 172.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.51 -41.07 98.53 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.691 0.678 . . . . 10.0 111.1 175.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.38 -44.79 93.73 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 118.135 -0.936 . . . . 10.0 112.168 172.084 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.456 ' CE2' HG12 ' A' ' 75' ' ' VAL . 45.5 m-85 -65.33 -43.82 89.71 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.949 1.249 . . . . 10.0 112.032 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 45.9 mtm180 -72.79 -35.18 67.34 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.192 0.812 . . . . 10.0 113.192 178.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 21.9 t -67.11 -32.56 73.78 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 118.03 -0.986 . . . . 10.0 111.888 171.15 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -67.41 -46.21 73.87 Favored 'General case' 0 C--N 1.34 0.184 0 CA-C-N 119.275 0.943 . . . . 10.0 110.652 171.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -59.02 -41.17 87.12 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 118.588 -0.72 . . . . 10.0 111.901 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.1 t -78.9 -32.74 45.86 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.313 0.961 . . . . 10.0 113.053 175.099 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -58.85 -39.17 80.51 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 119.697 -1.877 . . . . 10.0 111.425 169.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.531 0.248 0 CA-C-O 116.713 -1.613 . . . . 10.0 114.002 170.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 78.0 mt . . . . . 0 CA--C 1.534 0.328 0 CA-C-O 121.255 0.55 . . . . 10.0 110.935 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.0 t -135.35 -168.72 2.24 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.323 1.449 . . . . 10.0 110.158 175.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -47.12 -43.75 20.93 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.423 1.489 . . . . 10.0 112.626 -174.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.45 -49.13 76.73 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 123.543 0.592 . . . . 10.0 113.58 178.307 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.41 -42.29 88.04 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 117.86 0.83 . . . . 10.0 111.001 177.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.3 mp -62.04 -40.58 96.21 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.021 0.929 . . . . 10.0 113.136 175.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -66.2 -46.06 78.61 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 119.355 0.98 . . . . 10.0 111.734 170.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -44.33 96.95 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 118.544 0.611 . . . . 10.0 111.73 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 75.1 mt -66.95 -42.43 88.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 123.743 0.817 . . . . 10.0 110.206 177.041 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.8 m -61.66 -40.68 95.77 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.698 -0.626 . . . . 10.0 111.346 177.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 t -68.51 -40.69 80.73 Favored 'General case' 0 C--N 1.341 0.233 0 CA-C-O 118.168 -0.92 . . . . 10.0 112.377 172.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -59.57 -41.2 89.66 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 119.657 1.117 . . . . 10.0 111.509 176.154 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.1 mt -66.81 -49.43 65.84 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.704 0.801 . . . . 10.0 111.856 174.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -56.34 -48.85 75.91 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.767 0.712 . . . . 10.0 111.583 174.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -62.15 -37.79 86.54 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.658 0.783 . . . . 10.0 111.524 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 95.1 m -61.11 -46.49 90.37 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.291 0.95 . . . . 10.0 111.173 176.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.517 HG23 ' HB1' ' A' ' 74' ' ' ALA . 39.7 mt -65.93 -43.79 92.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-N 118.314 0.506 . . . . 10.0 110.607 175.232 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.4 t -57.22 -50.96 71.23 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.73 0.812 . . . . 10.0 111.953 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.26 -38.87 77.77 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 114.862 1.43 . . . . 10.0 114.862 169.689 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -67.33 -45.5 76.25 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.574 1.079 . . . . 10.0 110.484 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 60.3 mt -60.02 -49.66 83.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 124.064 0.946 . . . . 10.0 110.363 174.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.07 -21.27 64.81 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 114.101 1.148 . . . . 10.0 114.101 177.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -101.63 10.65 39.97 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.86 1.264 . . . . 10.0 112.728 173.043 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -119.57 -37.82 3.09 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.361 1.464 . . . . 10.0 113.749 171.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.1 t -147.0 147.79 17.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 125.395 1.478 . . . . 10.0 109.905 178.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.6 t -73.66 136.94 43.86 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 113.879 1.066 . . . . 10.0 113.879 -177.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.78 -24.34 3.39 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.005 1.322 . . . . 10.0 113.022 167.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -87.07 -2.46 58.65 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.803 1.409 . . . . 10.0 114.803 173.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -108.14 -28.23 9.63 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 126.282 1.833 . . . . 10.0 110.582 172.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 90.1 mt -75.9 128.29 37.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 C-N-CA 127.793 2.437 . . . . 10.0 110.359 169.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 36.5 t -72.59 -52.45 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 C-N-CA 123.58 0.752 . . . . 10.0 109.331 168.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -164.71 177.03 8.3 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.865 0.866 . . . . 10.0 112.123 172.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 15.0 pt -135.24 129.5 50.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 125.523 1.529 . . . . 10.0 110.906 175.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -98.95 118.81 36.56 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 108.221 -1.029 . . . . 10.0 108.221 168.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 57.1 mt -131.19 124.46 55.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 N-CA-C 108.453 -0.943 . . . . 10.0 108.453 172.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 52.7 m -119.73 120.28 36.11 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 125.924 1.69 . . . . 10.0 107.765 175.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.2 t -115.49 120.24 64.15 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.145 0 N-CA-C 107.322 -1.362 . . . . 10.0 107.322 171.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -117.84 139.25 51.37 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 124.99 1.316 . . . . 10.0 108.936 179.516 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.4 p -133.89 139.46 48.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 C-N-CA 123.435 0.694 . . . . 10.0 109.308 177.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.9 158.05 43.94 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.238 1.415 . . . . 10.0 110.223 -168.312 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -142.33 100.9 3.8 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.453 0.701 . . . . 10.0 109.651 174.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.9 t -131.1 82.5 2.05 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.899 1.28 . . . . 10.0 108.553 -178.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.7 t70 66.7 -44.61 0.44 Allowed 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 128.2 2.6 . . . . 10.0 112.494 -167.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -107.53 157.78 17.75 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.133 1.773 . . . . 10.0 110.672 168.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.9 tt -85.27 129.06 34.89 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.034 1.333 . . . . 10.0 108.059 173.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -131.26 147.1 52.55 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.693 0.797 . . . . 10.0 110.993 -179.235 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 67.9 t -136.04 135.06 50.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 C-N-CA 124.899 1.28 . . . . 10.0 108.451 176.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -108.29 140.94 40.82 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 107.313 -1.366 . . . . 10.0 107.313 166.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.1 mt -131.63 110.09 16.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 N-CA-C 105.517 -2.031 . . . . 10.0 105.517 169.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 56.4 m -120.78 121.67 38.68 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 107.546 -1.279 . . . . 10.0 107.546 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.45 149.63 52.46 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.05 0.94 . . . . 10.0 111.988 -177.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.95 147.4 35.16 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.654 1.582 . . . . 10.0 110.408 172.82 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 54.9 tp -127.97 104.28 7.71 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.622 1.569 . . . . 10.0 110.148 -169.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -96.64 102.86 14.72 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 108.968 -0.753 . . . . 10.0 108.968 -177.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 45.3 mt -85.61 151.9 23.54 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.434 1.094 . . . . 10.0 111.27 174.004 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.417 ' C ' ' H ' ' A' ' 63' ' ' LEU . 26.0 t0 -59.05 147.15 35.8 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 112.147 0.425 . . . . 10.0 112.147 170.348 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -67.46 19.74 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.751 2.02 . . . . 10.0 113.896 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.417 ' H ' ' C ' ' A' ' 61' ' ' ASP . 14.1 tp -137.62 6.35 2.72 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 128.39 2.676 . . . . 10.0 111.457 -177.398 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.0 m -127.42 139.26 52.95 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.97 1.308 . . . . 10.0 111.605 -174.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -138.34 94.32 2.85 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.583 1.553 . . . . 10.0 110.13 -170.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.57 -173.92 3.92 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.952 1.701 . . . . 10.0 112.267 172.087 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -85.37 146.04 43.83 Favored Pre-proline 0 CA--C 1.548 0.878 0 O-C-N 121.044 -1.035 . . . . 10.0 111.559 -170.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -73.21 44.16 0.81 Allowed 'Trans proline' 0 CA--C 1.547 1.15 1 C-N-CA 126.209 4.606 . . . . 10.0 114.645 -169.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.14 9.93 0.02 OUTLIER Glycine 0 CA--C 1.537 1.45 0 C-N-CA 127.058 2.266 . . . . 10.0 114.141 177.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.8 tt -62.17 -23.12 30.92 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 CA-C-N 119.461 1.63 . . . . 10.0 114.696 -169.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.2 p -86.07 -30.14 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 124.189 0.995 . . . . 10.0 113.039 170.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -59.99 -36.06 76.38 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.642 1.11 . . . . 10.0 110.525 173.125 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -63.67 -36.69 84.68 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.17 0.588 . . . . 10.0 111.275 171.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.517 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -67.46 -43.12 81.8 Favored 'General case' 0 C--N 1.344 0.352 0 CA-C-N 119.011 0.823 . . . . 10.0 111.802 176.397 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.495 HG12 ' CE2' ' A' ' 79' ' ' TYR . 1.8 t -69.66 -41.31 80.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-O 118.324 -0.846 . . . . 10.0 110.82 178.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -58.73 -42.23 88.28 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 119.692 1.133 . . . . 10.0 111.512 170.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.81 -39.7 95.08 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.832 0.742 . . . . 10.0 111.323 177.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.12 -43.36 87.38 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.107 0.781 . . . . 10.0 113.107 171.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.495 ' CE2' HG12 ' A' ' 75' ' ' VAL . 39.2 m-85 -63.94 -43.36 96.12 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.55 1.068 . . . . 10.0 111.963 178.003 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 -72.58 -30.35 64.31 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.792 0.837 . . . . 10.0 112.342 177.244 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 48.5 t -63.13 -45.88 89.87 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 121.807 -0.558 . . . . 10.0 110.376 168.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -62.97 -43.11 99.68 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.659 0.784 . . . . 10.0 111.499 176.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -58.81 -41.21 86.25 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.542 1.137 . . . . 10.0 111.165 175.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.7 t -78.3 -17.91 55.97 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.423 1.268 . . . . 10.0 114.423 174.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -79.98 -36.34 36.2 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.878 1.271 . . . . 10.0 110.964 176.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.548 0.868 0 C-N-CA 124.826 1.251 . . . . 10.0 113.058 177.276 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 73.2 mt . . . . . 0 CA--C 1.529 0.17 0 N-CA-C 108.313 -0.995 . . . . 10.0 108.313 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.6 t -153.41 -172.72 4.32 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 126.997 2.119 . . . . 10.0 107.959 -175.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -40.92 -47.19 2.94 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.987 1.715 . . . . 10.0 113.211 -177.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.8 -59.49 9.11 Favored Glycine 0 CA--C 1.535 1.342 0 CA-C-N 119.07 0.85 . . . . 10.0 114.609 178.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.53 -42.65 99.13 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 117.796 0.798 . . . . 10.0 111.226 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.0 mt -70.15 -39.35 75.4 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-O 118.666 -0.683 . . . . 10.0 112.123 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -62.24 -46.13 90.23 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 119.354 0.979 . . . . 10.0 111.296 171.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -62.51 -37.86 87.69 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.113 0.869 . . . . 10.0 112.137 176.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.9 mt -64.7 -39.68 86.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 O-C-N 120.85 -1.156 . . . . 10.0 110.347 172.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.0 p -59.58 -38.33 80.9 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.494 1.043 . . . . 10.0 112.58 171.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.18 -43.86 90.32 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 125.271 1.428 . . . . 10.0 111.36 174.086 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -60.19 -42.6 95.41 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.671 0.788 . . . . 10.0 111.477 174.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.1 mt -65.18 -49.7 68.79 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.635 0.774 . . . . 10.0 111.819 175.053 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.7 t-160 -59.03 -44.71 91.79 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.955 0.902 . . . . 10.0 111.928 179.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -63.19 -43.4 98.3 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 118.65 -0.69 . . . . 10.0 111.473 172.204 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.2 m -61.05 -46.68 89.71 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.292 0.951 . . . . 10.0 111.812 -178.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.535 HG23 ' HB1' ' A' ' 74' ' ' ALA . 57.4 mt -64.13 -44.2 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 CA-C-N 118.232 0.469 . . . . 10.0 110.34 175.169 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.7 m -60.17 -47.57 85.38 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.219 0.608 . . . . 10.0 111.784 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -63.73 -38.63 91.82 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.022 0.929 . . . . 10.0 111.595 175.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.422 ' HA ' ' HG2' ' A' ' 28' ' ' LYS . 26.7 t80 -63.52 -45.43 90.65 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 118.921 0.782 . . . . 10.0 111.762 174.549 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 54.3 mt -59.89 -49.41 84.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 C-N-CA 123.583 0.753 . . . . 10.0 109.323 175.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.61 -28.55 69.97 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.747 1.017 . . . . 10.0 113.747 176.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.422 ' HG2' ' HA ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -84.5 0.27 50.38 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 119.882 1.219 . . . . 10.0 113.631 171.736 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -116.12 -37.98 3.71 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.041 1.336 . . . . 10.0 114.449 177.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.4 p -148.02 149.41 15.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.083 1.353 . . . . 10.0 110.788 -170.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.3 t -88.16 136.51 32.94 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 115.782 1.771 . . . . 10.0 115.782 -168.144 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.69 -24.28 3.25 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.003 1.321 . . . . 10.0 113.162 167.142 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.0 -16.02 61.08 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 115.064 1.505 . . . . 10.0 115.064 173.452 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -115.65 -25.32 7.89 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.384 1.474 . . . . 10.0 111.876 177.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.4 mm -73.01 121.04 22.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 124.57 1.148 . . . . 10.0 108.644 167.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.2 t -72.55 -49.4 41.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 C-N-CA 123.554 0.742 . . . . 10.0 109.419 168.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -161.67 175.56 11.9 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.352 0.871 . . . . 10.0 113.352 173.146 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.2 pt -133.09 143.16 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 C-N-CA 125.733 1.613 . . . . 10.0 110.884 170.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -123.34 130.83 53.28 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 106.096 -1.816 . . . . 10.0 106.096 167.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 47.6 mt -131.22 123.43 53.36 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.267 0 N-CA-C 106.893 -1.521 . . . . 10.0 106.893 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.2 m -119.66 117.51 28.48 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 107.676 -1.231 . . . . 10.0 107.676 -174.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.2 t -115.75 129.63 71.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 N-CA-C 108.146 -1.057 . . . . 10.0 108.146 175.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -115.56 133.98 55.51 Favored 'General case' 0 C--N 1.334 -0.098 0 N-CA-C 107.8 -1.185 . . . . 10.0 107.8 171.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.4 p -139.96 132.96 35.15 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 123.442 0.697 . . . . 10.0 110.491 177.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -153.26 160.23 42.72 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.013 0.925 . . . . 10.0 111.79 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -127.47 108.94 11.25 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.169 0.588 . . . . 10.0 109.822 174.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.5 t -131.29 80.7 1.95 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.919 1.288 . . . . 10.0 108.474 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 59.97 -36.94 0.08 Allowed 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 128.445 2.698 . . . . 10.0 114.347 -166.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -108.02 156.52 19.15 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 129.029 2.931 . . . . 10.0 109.321 168.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.6 tp -85.33 129.11 34.88 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.382 1.073 . . . . 10.0 109.58 171.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -117.69 126.98 53.46 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 108.641 -0.874 . . . . 10.0 108.641 169.233 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.5 p -136.27 123.52 33.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 C-N-CA 124.664 1.186 . . . . 10.0 108.002 169.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -136.62 136.71 39.41 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 124.698 1.199 . . . . 10.0 108.671 -169.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 51.9 mt -132.18 135.82 57.54 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 C-N-CA 123.916 0.887 . . . . 10.0 110.131 -168.054 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.5 t -131.11 139.4 49.83 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 125.233 1.413 . . . . 10.0 108.005 167.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.23 138.32 49.29 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 121.599 0.714 . . . . 10.0 109.506 170.109 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -126.76 128.93 47.39 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 126.353 1.861 . . . . 10.0 107.44 -172.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 50.7 tp -127.84 117.0 21.02 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 124.356 1.062 . . . . 10.0 108.939 -170.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -113.63 106.96 15.14 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.23 -0.656 . . . . 10.0 109.23 -171.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -82.27 151.86 26.6 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.815 1.646 . . . . 10.0 111.962 176.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -61.07 147.39 43.96 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.01 167.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -64.94 4.43 0.44 Allowed 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.7 1.37 . . . . 10.0 114.7 -178.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 86.3 mt -126.06 21.86 7.39 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 127.909 2.484 . . . . 10.0 111.64 175.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 65.5 m -148.79 160.28 43.36 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 120.118 -1.614 . . . . 10.0 112.774 172.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -158.89 103.25 1.69 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.509 1.124 . . . . 10.0 109.503 -169.216 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.57 -174.38 1.1 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.62 1.568 . . . . 10.0 113.45 176.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -85.26 143.65 39.63 Favored Pre-proline 0 CA--C 1.547 0.858 0 O-C-N 120.59 -1.319 . . . . 10.0 111.742 -170.14 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -73.56 60.63 4.26 Favored 'Trans proline' 0 CA--C 1.544 1.013 1 C-N-CA 125.811 4.341 . . . . 10.0 113.237 -171.714 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 166.51 -9.36 0.06 OUTLIER Glycine 0 CA--C 1.535 1.342 0 C-N-CA 126.407 1.956 . . . . 10.0 114.297 -177.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.1 tt -55.09 -27.88 20.13 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 C-N-CA 125.759 1.623 . . . . 10.0 114.835 -172.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 79.5 t -78.79 -51.55 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 125.612 1.565 . . . . 10.0 110.856 174.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -53.68 -37.72 63.49 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.279 1.032 . . . . 10.0 111.323 175.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -63.77 -38.6 91.69 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 119.035 -0.507 . . . . 10.0 111.953 171.212 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.535 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -68.29 -41.5 80.86 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 119.367 0.985 . . . . 10.0 111.441 178.684 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.47 HG12 ' CE2' ' A' ' 79' ' ' TYR . 12.0 t -71.33 -41.2 74.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 CA-C-O 118.699 -0.667 . . . . 10.0 110.728 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -58.73 -42.93 89.92 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.81 1.244 . . . . 10.0 111.672 169.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.91 -39.38 94.37 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 118.88 -0.581 . . . . 10.0 111.105 175.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.14 -45.01 90.4 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.003 0.819 . . . . 10.0 112.508 170.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.47 ' CE2' HG12 ' A' ' 75' ' ' VAL . 36.3 m-85 -65.43 -43.66 89.78 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.468 1.031 . . . . 10.0 112.43 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 47.4 mtm180 -72.77 -29.35 63.23 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 113.391 0.886 . . . . 10.0 113.391 176.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.8 m -67.17 -43.05 83.21 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 118.464 0.575 . . . . 10.0 110.804 169.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 40.3 tp -63.46 -44.72 93.65 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 123.622 0.769 . . . . 10.0 111.835 175.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -61.09 -41.6 96.96 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.108 0.563 . . . . 10.0 111.156 175.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -68.15 -35.95 78.89 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.672 0.789 . . . . 10.0 112.179 177.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -70.12 -42.29 72.83 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.938 1.295 . . . . 10.0 111.367 174.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.0 tp . . . . . 0 CA--C 1.535 0.401 0 CA-C-N 118.639 0.654 . . . . 10.0 111.695 -179.217 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 mp . . . . . 0 CA--C 1.535 0.402 0 CA-C-O 121.322 0.582 . . . . 10.0 111.168 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.5 t -140.33 -170.82 3.07 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.122 1.369 . . . . 10.0 110.078 169.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -46.77 -39.09 11.1 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.838 1.655 . . . . 10.0 113.498 -175.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.46 -45.07 91.86 Favored Glycine 0 CA--C 1.533 1.211 0 CA-C-O 119.299 -0.723 . . . . 10.0 113.701 176.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.67 -40.31 80.22 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 118.61 1.205 . . . . 10.0 111.275 176.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.2 mp -64.88 -38.82 92.25 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 117.783 -1.103 . . . . 10.0 112.203 175.138 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -67.04 -46.19 75.14 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 120.109 1.322 . . . . 10.0 110.088 168.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -55.06 -43.88 74.25 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 120.273 1.397 . . . . 10.0 111.173 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.3 mt -68.66 -49.15 67.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 124.098 0.959 . . . . 10.0 111.418 174.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.2 t -60.03 -45.83 91.52 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.768 1.167 . . . . 10.0 112.709 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.2 m -66.32 -40.9 90.23 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.395 1.878 . . . . 10.0 111.452 175.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -61.23 -41.83 97.55 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.562 1.074 . . . . 10.0 112.457 171.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.0 mt -65.91 -44.59 84.73 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.524 0.73 . . . . 10.0 111.44 175.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -58.02 -48.66 79.4 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.263 0.625 . . . . 10.0 111.304 174.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.6 -41.49 94.84 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-O 118.817 -0.611 . . . . 10.0 111.769 172.519 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 94.4 m -60.99 -43.55 98.7 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.474 1.034 . . . . 10.0 111.014 -176.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 54.7 mt -69.86 -48.33 64.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 118.259 0.482 . . . . 10.0 111.029 173.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.8 t -60.69 -47.23 87.17 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 118.553 0.615 . . . . 10.0 112.141 -175.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -65.39 -38.74 90.9 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 118.138 -0.934 . . . . 10.0 111.863 173.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -59.51 -45.7 90.95 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 120.274 1.397 . . . . 10.0 110.699 173.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 46.4 mt -61.94 -52.89 55.08 Favored 'Isoleucine or valine' 0 C--N 1.342 0.242 0 CA-C-O 118.001 -1.0 . . . . 10.0 109.581 177.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -59.08 -32.45 69.8 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.714 1.143 . . . . 10.0 113.382 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -85.04 -2.66 58.24 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.591 1.157 . . . . 10.0 113.457 176.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -117.85 -33.18 4.57 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.366 1.466 . . . . 10.0 113.013 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 43.5 t -140.33 129.29 26.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 126.601 1.96 . . . . 10.0 109.066 169.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.7 t -69.61 136.34 51.1 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 121.838 -0.539 . . . . 10.0 112.207 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.93 -24.68 3.82 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.078 1.751 . . . . 10.0 114.862 178.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.7 ptmm? -57.62 -23.93 53.73 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 120.396 1.453 . . . . 10.0 114.698 171.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -86.64 -13.5 45.42 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.601 1.56 . . . . 10.0 112.842 174.045 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 77.3 mt -105.47 127.24 60.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 124.76 1.224 . . . . 10.0 109.874 -168.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 47.0 t -70.93 -52.22 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 108.824 -0.806 . . . . 10.0 108.824 169.194 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -164.62 177.24 8.21 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.712 0.805 . . . . 10.0 112.41 171.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.1 pt -131.59 136.53 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 125.398 1.479 . . . . 10.0 110.205 168.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -108.86 129.16 55.4 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 105.63 -1.989 . . . . 10.0 105.63 166.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 69.2 mt -131.26 123.48 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 N-CA-C 107.064 -1.458 . . . . 10.0 107.064 173.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 81.9 m -119.61 117.47 28.41 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 108.194 -1.039 . . . . 10.0 108.194 178.093 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.9 t -116.04 120.03 63.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 C-N-CA 124.692 1.197 . . . . 10.0 109.457 172.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 mp -117.08 139.26 50.93 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 125.978 1.711 . . . . 10.0 108.884 176.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.0 p -139.23 131.06 35.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 C-N-CA 123.746 0.819 . . . . 10.0 108.906 177.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -151.83 160.05 43.68 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 121.927 0.87 . . . . 10.0 112.147 -178.449 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -135.45 113.99 11.7 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 108.284 -1.006 . . . . 10.0 108.284 -172.018 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.39 80.12 1.92 Allowed 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 108.011 -1.107 . . . . 10.0 108.011 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.6 t70 59.54 -35.75 0.07 Allowed 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 126.104 1.761 . . . . 10.0 113.585 -165.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -98.11 159.66 14.79 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 129.799 3.239 . . . . 10.0 109.244 168.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 33.8 tp -104.83 129.09 53.2 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 108.41 -0.959 . . . . 10.0 108.41 168.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.78 150.36 49.44 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 122.614 1.197 . . . . 10.0 112.866 168.183 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.9 p -136.28 134.48 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 126.36 1.864 . . . . 10.0 107.91 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -131.72 131.02 42.7 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 125.493 1.517 . . . . 10.0 108.42 -169.25 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.2 mt -132.13 130.49 60.86 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 C-N-CA 124.172 0.989 . . . . 10.0 108.837 -169.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.8 t -128.43 134.98 48.9 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 107.511 -1.292 . . . . 10.0 107.511 167.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.29 138.1 49.12 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 121.326 0.584 . . . . 10.0 109.439 169.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -129.02 135.46 48.98 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 125.556 1.542 . . . . 10.0 107.889 -176.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 53.4 tp -126.68 104.35 8.04 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 124.332 1.053 . . . . 10.0 108.322 -172.246 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -100.08 102.79 14.23 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 107.576 -1.268 . . . . 10.0 107.576 -175.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 52.1 mt -85.45 151.9 23.62 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 124.974 1.31 . . . . 10.0 111.596 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -61.76 147.14 47.19 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.847 170.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -69.73 16.61 0.06 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.202 1.801 . . . . 10.0 113.529 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.57 4.9 4.3 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 127.883 2.473 . . . . 10.0 112.042 -178.529 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.7 t -111.78 174.43 5.88 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.699 1.2 . . . . 10.0 112.82 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -158.99 115.93 2.73 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.326 1.85 . . . . 10.0 108.529 -174.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -130.84 -173.86 3.21 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.649 1.979 . . . . 10.0 112.698 -178.103 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -85.39 142.52 37.84 Favored Pre-proline 0 CA--C 1.548 0.885 0 O-C-N 120.769 -1.207 . . . . 10.0 110.793 -169.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -73.67 41.96 0.66 Allowed 'Trans proline' 0 CA--C 1.549 1.233 1 C-N-CA 125.533 4.155 . . . . 10.0 113.959 -176.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.07 19.17 0.03 OUTLIER Glycine 0 CA--C 1.542 1.719 0 C-N-CA 127.628 2.537 . . . . 10.0 113.442 175.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.4 tt -65.15 -29.74 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 N-CA-C 114.36 1.244 . . . . 10.0 114.36 -168.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.2 p -86.11 -33.66 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 C-N-CA 124.536 1.134 . . . . 10.0 112.13 175.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.57 -40.53 72.08 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.652 1.181 . . . . 10.0 111.078 174.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -64.01 -33.5 75.87 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 112.961 0.726 . . . . 10.0 112.961 170.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.99 -41.86 90.53 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 119.763 1.165 . . . . 10.0 111.368 172.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.453 HG12 ' CE2' ' A' ' 79' ' ' TYR . 2.3 t -67.32 -44.98 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 122.466 0.306 . . . . 10.0 110.842 178.32 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -58.64 -41.0 84.99 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.546 1.138 . . . . 10.0 111.764 172.25 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.85 -40.14 96.56 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 120.964 -1.085 . . . . 10.0 111.834 173.039 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.56 95.71 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.054 0.843 . . . . 10.0 112.139 172.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.453 ' CE2' HG12 ' A' ' 75' ' ' VAL . 44.9 m-85 -63.34 -43.64 97.13 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.784 0.72 . . . . 10.0 112.557 177.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -72.28 -35.61 68.76 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 118.439 0.563 . . . . 10.0 112.143 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.7 t -68.28 -25.08 64.98 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 117.974 -1.012 . . . . 10.0 112.749 172.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 18.3 tp -76.15 -40.44 52.62 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 119.573 1.079 . . . . 10.0 111.446 169.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -58.84 -36.82 75.17 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.354 0.662 . . . . 10.0 111.14 176.494 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 97.0 p -79.57 -35.48 39.71 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 114.316 1.228 . . . . 10.0 114.316 169.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -58.89 -33.84 70.97 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 120.805 1.639 . . . . 10.0 112.262 174.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.553 1.083 0 C-N-CA 125.616 1.566 . . . . 10.0 113.995 174.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.9 mt . . . . . 0 CA--C 1.532 0.274 0 CA-C-O 122.179 0.99 . . . . 10.0 108.438 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -153.01 -175.15 5.2 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 128.207 2.603 . . . . 10.0 106.49 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -43.33 -40.54 3.63 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.801 2.04 . . . . 10.0 114.28 -172.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.0 -57.52 11.77 Favored Glycine 0 CA--C 1.534 1.22 0 CA-C-N 119.164 0.893 . . . . 10.0 113.708 177.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.96 -41.66 98.24 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 117.513 0.656 . . . . 10.0 110.949 177.669 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mp -64.11 -44.27 92.8 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.072 0.949 . . . . 10.0 113.497 176.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -66.71 -39.75 88.15 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 119.208 0.913 . . . . 10.0 111.462 174.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -66.29 -37.17 84.79 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.805 1.184 . . . . 10.0 112.485 174.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.0 mt -65.4 -42.14 92.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 O-C-N 120.719 -1.238 . . . . 10.0 110.569 172.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.0 t -58.53 -45.87 87.97 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.006 0.821 . . . . 10.0 111.557 172.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.05 -44.49 83.02 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.892 1.677 . . . . 10.0 111.693 173.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -68.09 -43.44 78.52 Favored 'General case' 0 C--O 1.236 0.372 0 O-C-N 121.727 -0.608 . . . . 10.0 112.208 -177.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -76.59 -36.94 57.24 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 113.667 0.988 . . . . 10.0 113.667 177.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -59.36 -47.54 85.02 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.531 1.06 . . . . 10.0 110.169 171.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -59.88 -41.18 91.02 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 112.388 0.514 . . . . 10.0 112.388 172.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.5 m -61.27 -45.85 92.79 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 118.793 0.724 . . . . 10.0 111.557 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 52.2 mt -66.1 -42.92 92.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 118.414 0.552 . . . . 10.0 110.924 175.433 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.4 t -57.94 -51.04 71.26 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.152 0.433 . . . . 10.0 111.712 176.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -58.93 -38.53 79.2 Favored 'General case' 0 C--N 1.344 0.33 0 CA-C-O 117.359 -1.305 . . . . 10.0 114.515 171.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -65.12 -46.08 82.48 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 120.157 1.344 . . . . 10.0 110.369 177.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.9 mt -63.71 -49.08 83.73 Favored 'Isoleucine or valine' 0 C--N 1.343 0.309 0 CA-C-N 118.594 0.634 . . . . 10.0 109.67 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.8 mp -65.18 -9.08 20.4 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 114.177 1.177 . . . . 10.0 114.177 177.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.6 mtmm -114.7 8.17 16.12 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.846 1.258 . . . . 10.0 113.333 171.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.566 ' HD3' HD11 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -119.95 -29.72 4.88 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 117.893 -1.051 . . . . 10.0 113.443 171.295 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.3 t -133.29 151.49 33.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 126.61 1.964 . . . . 10.0 109.237 173.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.9 t -77.91 136.17 37.98 Favored 'General case' 0 C--N 1.342 0.266 0 O-C-N 120.722 -1.236 . . . . 10.0 111.872 -178.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.69 -24.82 3.64 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.104 1.362 . . . . 10.0 113.294 169.001 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.18 -21.75 64.09 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.234 1.198 . . . . 10.0 114.234 171.605 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -106.67 -23.32 12.47 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.249 1.82 . . . . 10.0 111.919 -174.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 30.2 mm -70.94 108.54 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 C-N-CA 127.414 2.286 . . . . 10.0 108.325 178.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.7 t -73.16 -49.76 36.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 N-CA-C 108.636 -0.876 . . . . 10.0 108.636 169.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -163.1 175.45 11.05 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.361 0.664 . . . . 10.0 112.739 169.338 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.3 pt -138.68 139.21 41.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 C-N-CA 125.634 1.574 . . . . 10.0 109.902 171.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -124.53 116.71 22.91 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 124.106 0.962 . . . . 10.0 109.514 177.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 43.2 mt -131.13 127.16 60.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.135 0 C-N-CA 124.562 1.145 . . . . 10.0 108.618 -173.14 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.9 m -119.7 117.88 29.42 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 124.612 1.165 . . . . 10.0 108.666 175.433 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 65.5 t -99.4 129.54 49.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 N-CA-C 105.843 -1.91 . . . . 10.0 105.843 167.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 75.4 mt -117.51 139.04 51.46 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 107.958 -1.127 . . . . 10.0 107.958 172.188 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.4 p -139.82 132.07 34.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 124.43 1.092 . . . . 10.0 109.005 178.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -147.51 159.9 43.22 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.726 1.211 . . . . 10.0 109.459 -174.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -140.27 105.92 5.12 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 107.353 -1.351 . . . . 10.0 107.353 177.092 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.0 t -131.15 80.58 1.95 Allowed 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.791 1.237 . . . . 10.0 107.914 -177.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.5 t70 62.6 -41.68 0.17 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 127.805 2.442 . . . . 10.0 113.084 -166.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -105.16 153.52 21.42 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 127.611 2.365 . . . . 10.0 109.895 169.031 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 56.2 tp -85.23 129.09 34.88 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.86 1.264 . . . . 10.0 109.177 175.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -128.68 136.28 50.41 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.194 0.998 . . . . 10.0 110.314 -173.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 76.2 t -136.14 143.3 36.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 C-N-CA 124.846 1.258 . . . . 10.0 109.123 173.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -129.94 144.25 51.22 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 106.915 -1.513 . . . . 10.0 106.915 166.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 19.7 mt -130.65 120.49 48.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 N-CA-C 105.924 -1.88 . . . . 10.0 105.924 168.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.1 m -128.58 121.94 29.87 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 107.561 -1.274 . . . . 10.0 107.561 -175.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.28 146.77 52.44 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.211 1.004 . . . . 10.0 111.846 -172.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -139.37 147.58 41.69 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.647 1.179 . . . . 10.0 110.413 172.382 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 29.1 tp -124.93 128.21 48.27 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 125.81 1.644 . . . . 10.0 109.985 -168.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -114.18 107.96 16.32 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 121.95 0.881 . . . . 10.0 109.955 176.039 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.4 mt -96.45 152.07 18.96 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 125.81 1.644 . . . . 10.0 110.938 173.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.411 ' C ' ' H ' ' A' ' 63' ' ' LEU . 42.1 t0 -61.65 147.23 46.55 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 115.955 -0.566 . . . . 10.0 111.465 169.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -66.66 20.3 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 127.56 2.344 . . . . 10.0 113.462 -178.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.411 ' H ' ' C ' ' A' ' 61' ' ' ASP . 96.2 mt -136.8 5.09 2.84 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 128.266 2.626 . . . . 10.0 112.293 -173.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.31 143.36 50.46 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.893 1.277 . . . . 10.0 111.382 175.641 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -133.03 94.2 3.32 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 123.613 1.673 . . . . 10.0 109.134 -174.317 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.75 -176.45 6.09 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 113.261 -1.791 . . . . 10.0 112.414 172.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -85.31 141.76 37.33 Favored Pre-proline 0 CA--C 1.547 0.846 0 O-C-N 121.119 -0.988 . . . . 10.0 111.844 -168.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -73.99 58.56 4.18 Favored 'Trans proline' 0 CA--C 1.544 0.977 1 C-N-CA 125.969 4.446 . . . . 10.0 113.199 -171.287 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 169.64 -6.72 0.04 OUTLIER Glycine 0 CA--C 1.537 1.418 0 C-N-CA 126.717 2.103 . . . . 10.0 114.494 -176.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.566 HD11 ' HD3' ' A' ' 29' ' ' ARG . 3.1 tt -56.11 -29.43 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-N 119.308 1.554 . . . . 10.0 115.178 -171.219 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.7 t -71.85 -52.39 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.119 0.967 . . . . 10.0 109.943 173.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -58.42 -38.95 78.47 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.62 1.168 . . . . 10.0 111.405 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -63.88 -35.43 80.62 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 122.138 -0.351 . . . . 10.0 111.764 172.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.2 -42.84 83.47 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.878 0.763 . . . . 10.0 111.078 176.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.456 HG12 ' CE2' ' A' ' 79' ' ' TYR . 1.6 t -69.46 -41.97 80.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-O 119.1 -0.476 . . . . 10.0 111.293 178.142 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -58.68 -41.2 85.66 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.923 1.289 . . . . 10.0 111.216 172.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.99 -40.57 98.17 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.914 -0.491 . . . . 10.0 111.623 172.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.27 -40.55 96.19 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 119.084 0.857 . . . . 10.0 112.984 172.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.456 ' CE2' HG12 ' A' ' 75' ' ' VAL . 43.9 m-85 -63.99 -43.15 96.56 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.003 0.819 . . . . 10.0 112.087 175.614 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 75.9 mtt-85 -68.22 -36.55 79.68 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.278 0.631 . . . . 10.0 111.742 174.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.3 t -62.87 -48.21 79.98 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 118.622 -0.704 . . . . 10.0 109.867 176.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 27.3 tp -63.54 -43.43 97.12 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 118.906 0.776 . . . . 10.0 112.791 174.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -41.72 91.64 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 119.006 0.821 . . . . 10.0 112.053 178.161 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.4 m -83.04 -29.4 28.89 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 122.033 -0.417 . . . . 10.0 111.628 -178.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -61.68 -42.29 98.72 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.368 1.067 . . . . 10.0 110.643 168.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.8 tp . . . . . 0 C--N 1.343 0.301 0 CA-C-N 118.677 0.671 . . . . 10.0 112.037 -179.914 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 90.6 mt . . . . . 0 CA--C 1.53 0.211 0 CA-C-O 121.056 0.455 . . . . 10.0 110.13 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.9 t -137.87 -170.75 2.85 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.432 1.493 . . . . 10.0 110.231 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.3 -40.8 3.7 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.147 1.779 . . . . 10.0 113.586 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.05 -52.42 44.86 Favored Glycine 0 CA--C 1.535 1.32 0 CA-C-N 119.128 0.876 . . . . 10.0 113.835 175.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.61 -40.57 97.25 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 118.766 1.283 . . . . 10.0 111.149 178.054 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.2 mp -64.96 -37.17 86.75 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.668 1.187 . . . . 10.0 112.986 175.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -69.22 -45.01 70.87 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 120.331 1.423 . . . . 10.0 110.784 168.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -54.81 -40.64 69.73 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 120.242 1.383 . . . . 10.0 111.314 178.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 88.6 mt -70.14 -49.14 57.56 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 123.241 0.616 . . . . 10.0 112.079 171.377 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.4 m -65.86 -45.44 82.11 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.204 -0.935 . . . . 10.0 111.768 -173.296 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.2 m -66.59 -35.17 79.54 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.907 1.283 . . . . 10.0 111.529 174.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -60.92 -42.47 98.19 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.976 1.262 . . . . 10.0 112.023 169.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.3 mt -66.58 -45.06 80.49 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 122.972 0.509 . . . . 10.0 111.43 176.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.0 t-160 -58.03 -48.6 79.58 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.325 0.511 . . . . 10.0 111.548 174.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.13 -40.47 93.94 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-O 118.699 -0.667 . . . . 10.0 111.007 175.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.3 m -61.01 -44.4 97.47 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.565 0.746 . . . . 10.0 111.044 -179.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.436 HG23 ' HB1' ' A' ' 74' ' ' ALA . 59.8 mt -67.91 -44.78 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 CA-C-N 118.395 0.543 . . . . 10.0 110.889 175.57 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.2 t -58.09 -47.77 82.2 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 118.32 0.509 . . . . 10.0 111.379 178.078 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -63.58 -38.85 92.71 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.529 1.132 . . . . 10.0 111.614 175.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.408 ' HA ' ' HG2' ' A' ' 28' ' ' LYS . 17.9 t80 -65.06 -45.67 84.38 Favored 'General case' 0 C--N 1.345 0.385 0 CA-C-N 119.247 0.93 . . . . 10.0 111.152 177.352 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.4 mt -59.94 -53.09 53.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 108.718 -0.845 . . . . 10.0 108.718 176.205 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.2 mp -61.49 -31.84 71.83 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.431 0.901 . . . . 10.0 113.431 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.408 ' HG2' ' HA ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -80.88 -0.99 41.52 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 119.721 1.146 . . . . 10.0 113.749 173.413 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -123.37 -29.61 3.79 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 114.039 1.125 . . . . 10.0 114.039 -177.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.0 p -149.66 145.27 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 126.247 1.819 . . . . 10.0 109.898 171.067 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.8 t -74.3 136.79 42.61 Favored 'General case' 0 N--CA 1.465 0.306 0 O-C-N 120.955 -1.091 . . . . 10.0 113.872 -169.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.85 -24.66 3.71 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.958 1.303 . . . . 10.0 113.076 168.177 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -81.65 -7.83 59.64 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.553 1.316 . . . . 10.0 114.553 173.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -99.61 -11.46 20.94 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.806 1.642 . . . . 10.0 110.873 170.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.3 mt -95.22 128.23 46.57 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 127.846 2.458 . . . . 10.0 110.071 -177.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.5 t -73.14 -52.8 20.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 C-N-CA 123.801 0.841 . . . . 10.0 108.799 167.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -166.08 177.16 7.17 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.098 0.959 . . . . 10.0 111.991 171.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.3 pt -130.47 141.77 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 125.2 1.4 . . . . 10.0 110.585 171.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -114.27 119.22 36.27 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 108.379 -0.971 . . . . 10.0 108.379 169.242 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 43.5 mt -131.16 121.95 50.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 N-CA-C 107.89 -1.152 . . . . 10.0 107.89 174.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.1 m -119.61 118.09 30.06 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 107.666 -1.235 . . . . 10.0 107.666 177.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -115.46 117.9 57.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 125.911 1.684 . . . . 10.0 107.319 -177.664 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -117.64 138.84 51.7 Favored 'General case' 0 CA--C 1.523 -0.086 0 N-CA-C 108.581 -0.896 . . . . 10.0 108.581 -178.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.1 p -139.76 141.68 34.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 123.692 0.797 . . . . 10.0 109.228 172.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -143.56 153.9 43.04 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.357 1.463 . . . . 10.0 109.836 -169.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -131.35 99.73 4.94 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.864 0.866 . . . . 10.0 108.788 171.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.8 m -131.2 81.52 1.99 Allowed 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 107.57 -1.27 . . . . 10.0 107.57 177.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.9 t70 64.73 -45.43 0.32 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 128.516 2.727 . . . . 10.0 112.692 -167.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -98.36 146.84 25.29 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 127.463 2.305 . . . . 10.0 110.145 168.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.2 tt -85.39 120.13 26.52 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 106.902 -1.518 . . . . 10.0 106.902 167.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -134.12 148.94 51.05 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.376 0.67 . . . . 10.0 111.085 -175.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.1 p -136.29 148.26 27.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 125.631 1.572 . . . . 10.0 110.586 -173.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -130.85 141.62 50.33 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 125.226 1.41 . . . . 10.0 107.857 167.212 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.402 HG21 HD11 ' A' ' 22' ' ' ILE . 32.1 mt -130.32 109.7 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 N-CA-C 106.228 -1.768 . . . . 10.0 106.228 173.499 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.2 m -120.92 121.76 38.74 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 108.066 -1.087 . . . . 10.0 108.066 -178.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.45 155.13 47.88 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.937 0.895 . . . . 10.0 112.931 -175.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.41 146.39 32.47 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.32 1.848 . . . . 10.0 110.376 171.54 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 41.8 tp -128.05 104.3 7.7 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 126.038 1.735 . . . . 10.0 109.931 -173.041 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -93.03 102.74 15.08 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 108.793 -0.818 . . . . 10.0 108.793 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 42.6 mt -85.59 151.99 23.48 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.62 1.168 . . . . 10.0 110.895 171.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -58.9 147.06 35.39 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 112.747 0.647 . . . . 10.0 112.747 175.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -64.89 -9.83 24.03 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 114.561 1.319 . . . . 10.0 114.561 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.15 8.4 43.89 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.384 1.473 . . . . 10.0 112.844 171.454 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 27.5 t -112.95 151.22 30.8 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.818 1.247 . . . . 10.0 112.977 -174.14 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -146.03 94.91 2.54 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.503 1.921 . . . . 10.0 109.119 -172.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.8 -171.91 1.99 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.536 1.534 . . . . 10.0 112.076 175.074 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -85.37 144.11 40.12 Favored Pre-proline 0 CA--C 1.548 0.868 0 O-C-N 120.978 -1.077 . . . . 10.0 112.109 -168.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -74.25 45.76 1.25 Allowed 'Trans proline' 0 CA--C 1.548 1.206 1 C-N-CA 125.994 4.463 . . . . 10.0 114.135 -172.024 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.17 8.18 0.02 OUTLIER Glycine 0 CA--C 1.539 1.533 0 C-N-CA 126.932 2.206 . . . . 10.0 114.435 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.6 tt -59.3 -32.93 49.48 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 CA-C-N 118.945 1.372 . . . . 10.0 113.921 -170.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.5 p -86.11 -34.36 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 124.911 1.284 . . . . 10.0 113.055 172.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -58.74 -40.14 82.96 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 119.425 1.012 . . . . 10.0 110.572 174.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -63.78 -32.92 74.58 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 118.593 -0.717 . . . . 10.0 112.274 171.06 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.436 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -66.85 -44.49 80.87 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.979 1.263 . . . . 10.0 111.433 175.696 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.458 HG12 ' CE2' ' A' ' 79' ' ' TYR . 1.4 t -66.85 -45.06 88.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 CA-C-N 117.781 0.264 . . . . 10.0 110.436 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -58.64 -40.61 83.89 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.278 1.431 . . . . 10.0 112.031 173.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.94 -41.99 99.66 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.669 0.668 . . . . 10.0 111.333 174.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.27 -43.08 95.94 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 118.463 -0.779 . . . . 10.0 112.491 172.364 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.458 ' CE2' HG12 ' A' ' 75' ' ' VAL . 42.0 m-85 -66.53 -43.76 84.3 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 119.672 1.123 . . . . 10.0 112.348 179.162 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 44.7 mtm180 -72.61 -30.3 64.24 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.478 -0.764 . . . . 10.0 112.666 176.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 46.7 t -63.06 -48.76 77.3 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 118.143 -0.932 . . . . 10.0 109.867 169.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 25.3 tp -58.06 -43.81 87.15 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.789 0.836 . . . . 10.0 112.469 176.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -60.94 -41.49 96.34 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 119.194 -0.431 . . . . 10.0 111.33 175.284 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.1 p -68.04 -31.73 71.59 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.969 0.729 . . . . 10.0 112.969 175.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -76.08 -42.13 48.32 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.387 1.075 . . . . 10.0 111.516 -176.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 CA--C 1.533 0.318 0 CA-C-O 118.279 -0.867 . . . . 10.0 111.407 171.893 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 77.1 mt . . . . . 0 CA--C 1.54 0.559 0 N-CA-C 110.224 -0.288 . . . . 10.0 110.224 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.0 t -140.2 -169.78 2.83 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.771 0.828 . . . . 10.0 110.457 175.111 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -41.06 -46.56 2.95 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 126.658 1.983 . . . . 10.0 113.659 -175.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.17 -49.75 50.73 Favored Glycine 0 CA--C 1.528 0.892 0 CA-C-O 121.846 0.692 . . . . 10.0 113.208 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -67.57 -35.42 78.98 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.796 1.639 . . . . 10.0 111.143 -177.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 mp -70.02 -40.42 75.22 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.314 1.446 . . . . 10.0 113.165 169.102 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -63.14 -39.68 95.38 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 119.591 1.087 . . . . 10.0 111.786 173.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -58.54 -44.06 89.49 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.228 0.922 . . . . 10.0 112.005 172.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.7 mt -65.85 -46.26 89.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 O-C-N 121.524 -0.735 . . . . 10.0 111.276 174.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.8 t -58.88 -42.78 90.31 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.556 0.742 . . . . 10.0 111.927 176.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.5 t -64.51 -43.91 92.59 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 125.234 1.413 . . . . 10.0 111.77 174.45 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.38 -42.59 92.03 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.949 0.795 . . . . 10.0 111.599 174.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.6 mt -65.76 -50.51 64.49 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.542 0.737 . . . . 10.0 111.914 176.15 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -57.64 -49.92 74.88 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 118.864 0.756 . . . . 10.0 111.597 177.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -61.82 -37.45 84.48 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 118.741 -0.647 . . . . 10.0 111.336 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.3 m -61.09 -46.41 90.75 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 118.92 0.782 . . . . 10.0 111.339 176.188 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.523 HG23 ' HB1' ' A' ' 74' ' ' ALA . 43.4 mt -63.71 -49.94 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-N 118.765 0.711 . . . . 10.0 110.742 174.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.2 m -61.81 -40.94 97.03 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.287 0.635 . . . . 10.0 112.378 -176.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -66.13 -38.66 88.7 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.739 0.7 . . . . 10.0 111.931 171.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -66.21 -38.26 87.53 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 119.415 1.007 . . . . 10.0 112.026 176.173 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.3 mt -61.48 -53.12 52.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 O-C-N 121.177 -0.952 . . . . 10.0 109.276 171.018 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -63.34 -32.89 74.43 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.655 0.983 . . . . 10.0 113.655 -178.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.67 -9.05 58.26 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 118.149 -0.929 . . . . 10.0 113.411 174.734 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 -110.33 -34.82 6.24 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.459 1.652 . . . . 10.0 115.459 171.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.0 t -141.5 134.16 29.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.532 1.533 . . . . 10.0 109.525 -176.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.1 t -71.79 136.65 47.17 Favored 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 123.738 0.815 . . . . 10.0 112.004 178.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.81 -24.69 3.68 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.409 1.084 . . . . 10.0 113.217 169.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -24.26 67.52 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 120.604 1.547 . . . . 10.0 113.904 172.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -87.55 -14.57 39.87 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.892 1.677 . . . . 10.0 111.859 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 86.5 mt -109.29 128.22 65.41 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 127.18 2.192 . . . . 10.0 109.314 -169.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.4 t -69.21 -50.35 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 O-C-N 121.682 -0.636 . . . . 10.0 110.088 169.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -163.71 176.19 9.83 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.295 0.85 . . . . 10.0 113.295 172.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.8 pt -133.09 143.13 40.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 C-N-CA 125.58 1.552 . . . . 10.0 110.443 169.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -123.67 126.85 47.32 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 107.664 -1.236 . . . . 10.0 107.664 169.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 51.9 mt -131.32 121.61 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 N-CA-C 107.709 -1.219 . . . . 10.0 107.709 -179.014 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.5 m -119.69 117.86 29.39 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 124.685 1.194 . . . . 10.0 108.026 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.3 t -115.53 127.21 73.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 N-CA-C 107.33 -1.359 . . . . 10.0 107.33 175.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.1 mp -117.66 139.06 51.53 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 124.978 1.311 . . . . 10.0 108.046 -175.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.3 p -139.68 137.34 39.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 C-N-CA 123.921 0.888 . . . . 10.0 109.74 176.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -148.46 156.91 43.08 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.295 1.438 . . . . 10.0 109.329 -176.112 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -138.12 104.9 5.35 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 107.479 -1.304 . . . . 10.0 107.479 174.565 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.7 t -131.21 80.86 1.96 Allowed 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.413 1.485 . . . . 10.0 108.19 -173.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.7 t70 64.64 -33.05 0.14 Allowed 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 127.63 2.372 . . . . 10.0 113.47 -167.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -123.78 158.66 31.24 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 128.355 2.662 . . . . 10.0 109.21 172.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 49.9 tp -85.18 129.16 34.86 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.457 1.103 . . . . 10.0 109.154 177.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -124.15 136.87 54.51 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 124.589 1.156 . . . . 10.0 109.889 178.053 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.0 p -136.31 141.28 41.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 C-N-CA 125.354 1.462 . . . . 10.0 108.512 173.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -140.92 146.33 37.27 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 123.979 0.912 . . . . 10.0 111.243 176.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 36.6 mt -132.43 120.03 41.22 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 C-N-CA 125.401 1.48 . . . . 10.0 109.456 -170.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.8 m -122.65 127.17 48.98 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.603 1.161 . . . . 10.0 108.725 169.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.32 138.28 49.15 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.313 0.645 . . . . 10.0 110.756 175.282 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -127.39 137.32 52.72 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 125.672 1.589 . . . . 10.0 109.782 -175.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -116.09 121.01 40.92 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 125.699 1.599 . . . . 10.0 107.448 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -113.52 102.68 10.53 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 107.394 -1.335 . . . . 10.0 107.394 173.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.5 mt -85.05 152.04 23.71 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 125.383 1.473 . . . . 10.0 111.242 -177.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -61.42 147.25 45.68 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.429 168.097 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -66.67 9.87 0.16 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.94 1.296 . . . . 10.0 114.234 -178.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.1 tp -127.83 6.88 6.12 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 128.287 2.635 . . . . 10.0 111.876 178.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.8 m -112.73 145.13 41.07 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.351 1.46 . . . . 10.0 112.046 -178.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -144.57 94.46 2.56 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.157 1.383 . . . . 10.0 110.636 -177.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.71 -168.29 2.19 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 125.881 1.672 . . . . 10.0 112.684 174.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -85.43 145.59 42.66 Favored Pre-proline 0 CA--C 1.546 0.809 0 O-C-N 121.092 -1.005 . . . . 10.0 110.269 -176.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -72.67 49.42 1.49 Allowed 'Trans proline' 0 CA--C 1.548 1.189 1 C-N-CA 125.82 4.347 . . . . 10.0 112.93 178.701 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.04 5.56 0.02 OUTLIER Glycine 0 CA--C 1.54 1.636 0 C-N-CA 127.605 2.526 . . . . 10.0 114.741 -175.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.3 tp -52.07 -39.94 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-N 119.881 1.841 . . . . 10.0 113.342 -174.091 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.5 p -86.29 -29.75 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 C-N-CA 125.434 1.494 . . . . 10.0 113.796 177.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -60.2 -44.5 95.07 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.112 0.565 . . . . 10.0 109.548 175.055 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -63.97 -38.1 89.84 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 118.363 -0.827 . . . . 10.0 112.459 171.052 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.523 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -64.26 -43.4 94.96 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 120.37 1.441 . . . . 10.0 111.769 178.528 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.3 t -68.46 -46.31 80.63 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 125.157 1.383 . . . . 10.0 111.168 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -58.64 -42.13 87.59 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.222 1.409 . . . . 10.0 112.169 170.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.97 -43.05 99.85 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.643 -0.661 . . . . 10.0 110.995 175.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.73 -42.69 99.3 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 118.437 -0.792 . . . . 10.0 112.395 172.132 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -66.31 -43.34 86.53 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.685 1.129 . . . . 10.0 112.84 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 45.4 mtm180 -72.84 -30.63 64.17 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 118.863 0.756 . . . . 10.0 112.399 177.516 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.0 t -65.42 -40.82 93.8 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 118.658 -0.687 . . . . 10.0 110.586 168.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 25.8 tp -63.64 -44.29 94.29 Favored 'General case' 0 C--N 1.342 0.265 0 CA-C-N 119.098 0.863 . . . . 10.0 112.704 174.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -59.46 -41.28 89.34 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.003 0.82 . . . . 10.0 111.102 174.026 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.6 m -67.83 -38.4 83.15 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.947 0.899 . . . . 10.0 112.191 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -66.26 -42.31 88.68 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.233 1.413 . . . . 10.0 111.067 173.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.5 tp . . . . . 0 N--CA 1.466 0.336 0 O-C-N 121.617 -0.677 . . . . 10.0 111.958 -179.422 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.1 mt . . . . . 0 CA--C 1.532 0.262 0 CA-C-O 122.321 1.058 . . . . 10.0 108.579 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.0 t -148.82 -175.75 5.07 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 127.756 2.422 . . . . 10.0 107.719 -178.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -38.15 -48.61 1.27 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 126.342 1.857 . . . . 10.0 113.037 -174.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.63 -61.12 7.59 Favored Glycine 0 CA--C 1.535 1.334 0 CA-C-N 118.792 0.724 . . . . 10.0 114.442 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -70.13 -33.16 71.47 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.952 -0.734 . . . . 10.0 111.553 -177.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.8 mt -69.97 -42.33 73.27 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.595 0.758 . . . . 10.0 111.843 176.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -63.46 -45.3 91.49 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 119.237 0.926 . . . . 10.0 110.784 173.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -57.74 -43.62 85.49 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.719 0.808 . . . . 10.0 112.228 174.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.4 mt -64.97 -41.5 92.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 O-C-N 121.573 -0.704 . . . . 10.0 110.761 173.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.6 p -58.8 -39.9 82.49 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.645 1.111 . . . . 10.0 112.047 174.148 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.6 t -66.51 -43.88 84.07 Favored 'General case' 0 C--N 1.341 0.216 0 C-N-CA 124.431 1.092 . . . . 10.0 111.102 175.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -59.45 -42.55 92.22 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.513 0.597 . . . . 10.0 112.011 174.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.8 mt -64.43 -49.75 70.25 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.472 0.709 . . . . 10.0 111.972 175.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -59.74 -47.65 84.81 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 118.187 0.448 . . . . 10.0 111.56 178.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -62.35 -36.77 83.27 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 118.642 -0.694 . . . . 10.0 111.977 175.013 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.0 m -61.04 -44.98 96.59 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.809 1.186 . . . . 10.0 111.465 178.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 52.0 mt -68.27 -44.33 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 O-C-N 122.117 -0.364 . . . . 10.0 110.832 175.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.5 t -57.31 -50.91 71.44 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 119.174 -0.441 . . . . 10.0 111.204 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.28 -38.78 77.67 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 114.316 1.228 . . . . 10.0 114.316 173.33 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -64.47 -45.75 86.03 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.543 1.065 . . . . 10.0 110.591 177.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.3 mt -66.2 -53.17 39.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-O 118.7 -0.667 . . . . 10.0 109.363 178.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.01 -16.12 60.91 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.237 1.199 . . . . 10.0 114.237 -177.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -109.44 7.06 24.75 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.583 0.957 . . . . 10.0 113.583 174.034 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -124.23 -20.48 5.25 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.763 1.394 . . . . 10.0 114.763 169.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.6 p -141.93 140.25 30.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 125.963 1.705 . . . . 10.0 110.163 171.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.6 t -76.45 136.58 39.41 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 121.298 -0.876 . . . . 10.0 112.107 -175.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.83 -24.84 3.82 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.467 1.107 . . . . 10.0 113.586 169.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -72.98 -11.19 60.48 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.194 1.183 . . . . 10.0 114.194 173.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -97.08 -15.34 21.04 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.732 1.613 . . . . 10.0 111.752 173.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.4 mm -101.93 128.25 54.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 128.04 2.536 . . . . 10.0 110.393 -168.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.9 t -77.37 -51.23 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 N-CA-C 109.11 -0.7 . . . . 10.0 109.11 167.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -164.6 176.99 8.41 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.67 0.788 . . . . 10.0 112.999 171.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 15.8 pt -134.6 141.76 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 125.404 1.482 . . . . 10.0 110.261 169.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -127.83 108.12 10.45 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.883 0.873 . . . . 10.0 109.13 -176.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.8 mt -122.0 124.29 70.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 N-CA-C 108.98 -0.748 . . . . 10.0 108.98 -171.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.3 m -119.65 117.82 29.31 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 125.541 1.536 . . . . 10.0 108.168 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.2 m -115.55 119.98 63.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 126.573 1.949 . . . . 10.0 107.691 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 88.4 mt -117.72 137.01 52.98 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 124.448 1.099 . . . . 10.0 108.589 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.6 p -139.79 134.27 37.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 C-N-CA 123.461 0.704 . . . . 10.0 110.036 176.15 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -153.22 159.97 42.72 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.844 1.258 . . . . 10.0 110.132 -171.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -142.87 102.14 3.97 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.447 -0.783 . . . . 10.0 109.716 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 48.5 m -131.78 97.69 4.26 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 120.964 -1.085 . . . . 10.0 109.771 171.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 57.97 -24.75 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 127.842 2.457 . . . . 10.0 115.911 -169.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -133.41 159.69 39.58 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 127.453 2.301 . . . . 10.0 110.026 168.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.6 tt -85.38 128.42 34.71 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.672 1.189 . . . . 10.0 108.489 179.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -117.36 126.77 53.23 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 124.6 1.16 . . . . 10.0 108.743 175.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.3 p -136.16 123.48 33.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 106.5 -1.667 . . . . 10.0 106.5 169.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -139.77 132.6 29.17 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.773 -0.825 . . . . 10.0 108.773 -167.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 21.3 mt -132.1 127.08 57.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 C-N-CA 123.672 0.789 . . . . 10.0 109.45 -168.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.4 m -127.31 131.11 50.52 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 125.242 1.417 . . . . 10.0 108.508 174.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.19 138.38 49.38 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.46 0.704 . . . . 10.0 110.144 177.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.32 145.14 48.19 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 126.076 1.75 . . . . 10.0 109.945 177.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 64.3 tp -128.16 109.14 11.23 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 114.551 -1.204 . . . . 10.0 109.936 -169.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -108.0 102.7 11.85 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 122.511 1.148 . . . . 10.0 108.707 178.139 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 27.1 mt -88.5 152.05 22.13 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 126.986 2.114 . . . . 10.0 110.475 175.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -60.23 147.29 40.57 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 120.856 -0.338 . . . . 10.0 111.432 169.134 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -68.25 38.76 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 128.555 2.742 . . . . 10.0 112.99 -178.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 50.9 tp -160.56 -27.88 0.06 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 128.52 2.728 . . . . 10.0 112.099 -169.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 25.9 m -74.28 153.75 39.24 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.29 1.436 . . . . 10.0 112.965 -178.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -141.09 94.41 2.7 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 123.034 1.397 . . . . 10.0 110.344 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.15 -167.97 1.67 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.324 1.85 . . . . 10.0 112.204 176.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -85.41 144.44 40.52 Favored Pre-proline 0 CA--C 1.544 0.726 0 O-C-N 120.948 -1.095 . . . . 10.0 110.09 -175.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -72.68 42.17 0.57 Allowed 'Trans proline' 0 CA--C 1.549 1.237 1 C-N-CA 125.555 4.17 . . . . 10.0 113.619 -179.423 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.09 12.68 0.02 OUTLIER Glycine 0 CA--C 1.539 1.54 0 C-N-CA 126.759 2.123 . . . . 10.0 114.234 177.17 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 9.3 tt -60.16 -33.88 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-N 119.078 1.439 . . . . 10.0 114.198 -168.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 75' ' ' VAL . 6.3 p -86.14 -39.0 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 C-N-CA 124.281 1.032 . . . . 10.0 112.046 174.203 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -55.27 -46.17 76.14 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.753 1.221 . . . . 10.0 110.846 175.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -63.97 -33.33 75.49 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.039 0.936 . . . . 10.0 112.517 171.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.97 -42.52 89.78 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.883 1.219 . . . . 10.0 111.715 173.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 71' ' ' VAL . 1.6 t -68.29 -43.82 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 118.243 0.474 . . . . 10.0 110.576 178.793 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -58.74 -41.62 86.9 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.651 1.18 . . . . 10.0 111.55 172.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.96 -39.61 95.2 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.619 -0.676 . . . . 10.0 111.631 173.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.24 -44.03 93.07 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.191 0.905 . . . . 10.0 112.391 171.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.429 ' CE2' HG12 ' A' ' 75' ' ' VAL . 39.4 m-85 -64.03 -43.46 95.5 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 119.354 0.979 . . . . 10.0 112.458 178.772 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 45.6 mtm105 -72.39 -30.22 64.47 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.519 0.6 . . . . 10.0 112.607 175.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.7 m -64.47 -43.4 94.3 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 118.694 -0.669 . . . . 10.0 110.616 169.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.37 -45.58 87.11 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.113 0.965 . . . . 10.0 112.021 177.166 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -58.88 -41.26 86.68 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.945 0.898 . . . . 10.0 111.103 175.169 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.7 m -69.67 -35.47 75.18 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.921 0.888 . . . . 10.0 112.239 174.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -68.54 -42.53 78.31 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 117.924 -1.036 . . . . 10.0 111.525 -176.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 N--CA 1.472 0.652 0 CA-C-N 120.604 1.547 . . . . 10.0 111.614 179.429 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 51.9 mt . . . . . 0 CA--C 1.534 0.336 0 N-CA-C 108.505 -0.924 . . . . 10.0 108.505 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.4 t -147.31 -171.56 3.82 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 124.607 1.163 . . . . 10.0 111.946 -167.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -62.72 44.32 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 130.371 3.468 . . . . 10.0 113.19 172.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.4 -58.48 0.02 OUTLIER Glycine 0 CA--C 1.528 0.848 0 C-N-CA 126.754 2.121 . . . . 10.0 110.154 171.144 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -61.57 -42.82 99.41 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.73 0.812 . . . . 10.0 112.456 176.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 98.0 mt -70.27 -36.65 74.55 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.459 -0.776 . . . . 10.0 112.364 175.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -64.33 -39.53 94.09 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.328 1.051 . . . . 10.0 111.867 174.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -60.71 -42.03 96.45 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.585 1.154 . . . . 10.0 111.591 170.39 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.5 mt -64.73 -43.49 96.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 CA-C-N 118.745 0.702 . . . . 10.0 110.229 172.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.5 p -58.85 -37.6 76.86 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.435 1.016 . . . . 10.0 111.734 176.159 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.4 m -69.59 -43.85 71.96 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.864 1.266 . . . . 10.0 110.699 177.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -60.88 -41.34 95.78 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.256 1.023 . . . . 10.0 112.144 173.554 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.4 mt -64.01 -49.67 71.53 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.991 0.917 . . . . 10.0 111.866 174.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -55.77 -50.0 71.62 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-N 119.363 0.983 . . . . 10.0 111.417 174.116 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -63.15 -37.94 89.19 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 119.497 -0.287 . . . . 10.0 110.439 -176.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 80.5 m -61.39 -46.98 87.92 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.909 0.883 . . . . 10.0 111.916 175.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.434 HG23 ' HB1' ' A' ' 74' ' ' ALA . 77.5 mt -67.82 -47.72 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 CA-C-N 118.509 0.595 . . . . 10.0 110.688 178.669 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.8 m -59.63 -45.51 91.74 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.248 0.619 . . . . 10.0 111.243 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.8 -38.81 89.52 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 114.296 1.221 . . . . 10.0 114.296 169.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -62.02 -45.54 93.14 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 120.61 1.55 . . . . 10.0 110.829 177.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 91.4 mt -61.38 -52.94 55.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 C-N-CA 123.725 0.81 . . . . 10.0 109.591 175.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.1 mp -64.29 -14.24 54.68 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 114.304 1.224 . . . . 10.0 114.304 179.242 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -100.24 -1.42 36.45 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.874 1.27 . . . . 10.0 112.931 174.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -118.84 -15.86 9.35 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.348 1.24 . . . . 10.0 114.348 168.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.3 t -144.98 141.02 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 126.001 1.72 . . . . 10.0 108.757 -174.277 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.7 t -75.58 135.39 40.54 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.942 1.09 . . . . 10.0 113.942 -171.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.71 -24.7 3.57 Favored 'General case' 0 CA--C 1.55 0.95 0 O-C-N 120.484 -1.385 . . . . 10.0 113.358 167.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -75.67 -21.64 57.46 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.62 1.341 . . . . 10.0 114.62 173.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -110.41 -16.81 13.61 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 119.578 1.081 . . . . 10.0 112.638 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.1 mm -70.94 113.67 7.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 107.055 -1.461 . . . . 10.0 107.055 167.156 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.5 t -71.54 -49.99 42.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 N-CA-C 108.681 -0.859 . . . . 10.0 108.681 168.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -164.93 177.04 8.14 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.612 0.765 . . . . 10.0 112.2 171.067 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -134.82 140.07 46.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 C-N-CA 125.269 1.428 . . . . 10.0 109.479 168.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -120.35 110.35 16.44 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.122 -1.066 . . . . 10.0 108.122 -177.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 33.1 mt -128.17 122.02 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 123.753 0.821 . . . . 10.0 108.904 -171.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.6 m -115.58 117.71 31.07 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 125.626 1.57 . . . . 10.0 107.365 178.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -115.54 117.74 56.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 125.393 1.477 . . . . 10.0 107.466 178.01 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.94 139.07 51.68 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.719 1.208 . . . . 10.0 109.568 -177.078 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.1 p -139.82 140.8 35.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 123.034 0.534 . . . . 10.0 110.955 -178.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -150.5 160.03 44.07 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.047 0.939 . . . . 10.0 112.068 179.308 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -131.74 105.35 7.44 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 108.467 -0.938 . . . . 10.0 108.467 169.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.416 ' C ' ' H ' ' A' ' 49' ' ' GLU . 5.0 p -131.02 80.66 1.95 Allowed 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.357 1.463 . . . . 10.0 107.13 -173.03 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.5 t70 62.79 -27.1 0.07 Allowed 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 127.339 2.255 . . . . 10.0 113.966 -167.19 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.416 ' H ' ' C ' ' A' ' 47' ' ' THR . 37.7 tt0 -134.76 159.96 39.69 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 128.585 2.754 . . . . 10.0 109.574 172.603 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 35.0 tp -85.0 129.12 34.85 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.401 1.08 . . . . 10.0 109.135 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.1 tptp -132.19 146.2 51.86 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 122.43 1.11 . . . . 10.0 110.157 172.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.9 p -135.2 147.32 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 125.966 1.707 . . . . 10.0 107.807 174.163 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -123.11 142.92 50.36 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 125.241 1.416 . . . . 10.0 108.267 169.116 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.2 mt -131.05 108.81 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 N-CA-C 105.253 -2.129 . . . . 10.0 105.253 175.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.6 m -124.49 121.66 35.46 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 107.239 -1.393 . . . . 10.0 107.239 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.5 150.26 52.22 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.766 0.826 . . . . 10.0 112.32 -173.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -140.94 143.57 34.63 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.829 2.051 . . . . 10.0 109.331 -178.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 36.4 tp -128.29 121.87 30.3 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.471 1.508 . . . . 10.0 111.695 -169.075 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -114.1 107.12 15.22 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 121.447 0.641 . . . . 10.0 112.198 178.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -82.25 151.94 26.59 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 126.239 1.816 . . . . 10.0 111.546 168.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.411 ' C ' ' H ' ' A' ' 63' ' ' LEU . 25.8 t0 -61.48 147.18 46.13 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.299 0.64 . . . . 10.0 110.72 167.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -66.99 17.19 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.121 1.769 . . . . 10.0 113.877 -179.393 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.411 ' H ' ' C ' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -133.59 5.27 3.69 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 128.299 2.64 . . . . 10.0 112.456 -177.478 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.3 t -131.99 169.01 16.93 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.337 1.055 . . . . 10.0 112.132 172.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -153.72 94.77 1.81 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.224 1.81 . . . . 10.0 109.085 -172.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.9 -177.04 5.77 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.892 1.277 . . . . 10.0 112.538 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -85.43 134.44 40.3 Favored Pre-proline 0 CA--C 1.547 0.863 0 O-C-N 120.615 -1.303 . . . . 10.0 110.517 -173.039 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -74.53 63.34 5.54 Favored 'Trans proline' 0 CA--C 1.542 0.901 1 C-N-CA 125.399 4.066 . . . . 10.0 113.201 -169.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.09 -8.43 0.03 OUTLIER Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.74 1.162 . . . . 10.0 115.589 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 73.3 mt -56.07 -30.92 30.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 120.03 1.915 . . . . 10.0 113.697 -175.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 70.4 t -64.95 -54.68 26.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 CA-C-N 118.987 0.812 . . . . 10.0 111.187 172.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -58.12 -41.49 83.75 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.42 1.088 . . . . 10.0 110.761 177.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -63.88 -40.33 96.28 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 118.73 -0.652 . . . . 10.0 112.024 172.283 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.434 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -67.37 -41.62 84.78 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.649 1.113 . . . . 10.0 111.1 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.74 -46.99 87.52 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 C-N-CA 125.066 1.346 . . . . 10.0 110.875 176.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -58.69 -42.15 87.9 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.672 1.589 . . . . 10.0 112.302 171.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.16 -42.11 96.87 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.51 -0.744 . . . . 10.0 111.302 175.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.35 -39.6 94.99 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 118.312 -0.852 . . . . 10.0 112.403 172.186 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -63.88 -43.42 96.09 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 119.65 1.114 . . . . 10.0 112.011 173.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 74.5 mtt-85 -63.95 -44.06 93.92 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 120.753 -1.217 . . . . 10.0 110.562 176.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.8 t -68.25 -16.71 64.07 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 117.144 -1.408 . . . . 10.0 114.43 175.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 39.6 tp -87.28 -47.13 9.08 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 120.191 1.36 . . . . 10.0 111.807 169.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.31 -41.23 77.03 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 118.948 -0.549 . . . . 10.0 110.552 -175.036 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.8 m -69.39 -18.33 63.75 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.464 0.912 . . . . 10.0 113.464 172.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -80.99 -42.1 21.71 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.295 1.438 . . . . 10.0 110.526 174.166 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 N--CA 1.475 0.79 0 O-C-N 120.87 -1.144 . . . . 10.0 112.042 172.303 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 69.8 mt . . . . . 0 CA--C 1.536 0.44 0 N-CA-C 109.639 -0.504 . . . . 10.0 109.639 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.1 t -147.0 -173.57 4.27 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.801 1.24 . . . . 10.0 109.396 174.277 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -47.63 -39.89 18.16 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.326 1.45 . . . . 10.0 113.36 -172.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.89 -53.47 37.31 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 123.809 0.719 . . . . 10.0 113.28 176.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -65.28 -39.41 92.55 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.197 1.399 . . . . 10.0 111.758 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.21 -39.49 89.66 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.986 0.914 . . . . 10.0 113.254 171.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -65.17 -42.38 93.75 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 119.468 1.031 . . . . 10.0 111.43 171.038 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -62.29 -41.99 98.97 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.489 1.04 . . . . 10.0 111.964 175.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 52.5 mt -64.79 -43.61 96.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 O-C-N 121.153 -0.967 . . . . 10.0 110.463 174.053 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.3 m -63.62 -41.59 98.26 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.413 0.685 . . . . 10.0 111.223 178.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.0 t -62.1 -43.93 97.77 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.995 1.718 . . . . 10.0 111.734 172.141 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -61.17 -40.7 94.87 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.076 0.95 . . . . 10.0 112.137 175.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.8 mt -65.37 -51.29 61.42 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 123.125 0.57 . . . . 10.0 111.54 173.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.9 t-160 -57.9 -47.97 81.25 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.211 0.604 . . . . 10.0 111.595 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -63.89 -35.56 81.07 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 118.14 -0.933 . . . . 10.0 112.104 175.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.0 m -61.09 -47.13 87.73 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.915 1.234 . . . . 10.0 111.284 174.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.452 HG23 ' HB1' ' A' ' 74' ' ' ALA . 50.8 mt -65.14 -46.06 92.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-N 118.48 0.582 . . . . 10.0 110.229 177.292 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.9 t -57.62 -48.36 79.65 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.175 0.59 . . . . 10.0 111.626 178.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -63.16 -38.88 92.9 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.781 -0.575 . . . . 10.0 112.242 175.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -62.49 -45.65 92.03 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 119.338 0.972 . . . . 10.0 110.734 176.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.9 mt -61.48 -52.97 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-O 118.059 -0.972 . . . . 10.0 109.477 176.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.64 -28.52 68.62 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.692 1.133 . . . . 10.0 113.691 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -82.77 -5.7 59.05 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.046 1.128 . . . . 10.0 114.046 172.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -128.1 -29.95 2.48 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 115.325 1.602 . . . . 10.0 115.325 -174.509 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.6 t -137.25 144.42 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 126.597 1.959 . . . . 10.0 109.448 178.192 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 45.7 t -85.51 136.58 33.36 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 115.422 1.638 . . . . 10.0 115.422 -168.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.95 -24.46 3.67 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 120.617 -1.302 . . . . 10.0 113.262 167.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -77.46 -5.24 49.19 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.888 1.44 . . . . 10.0 114.888 175.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -128.88 -22.99 3.15 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.701 1.601 . . . . 10.0 112.554 177.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.1 mm -70.85 112.16 5.41 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 N-CA-C 106.763 -1.569 . . . . 10.0 106.763 168.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.6 t -68.91 -47.76 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 C-N-CA 124.03 0.932 . . . . 10.0 109.418 171.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -161.24 174.56 13.42 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 121.523 0.677 . . . . 10.0 112.599 169.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.7 pt -136.23 138.56 46.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 C-N-CA 125.004 1.321 . . . . 10.0 110.191 169.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -122.74 120.53 33.91 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 107.698 -1.223 . . . . 10.0 107.698 176.139 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 59.2 mt -131.16 117.52 37.27 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.145 0 N-CA-C 108.095 -1.076 . . . . 10.0 108.095 -174.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 89.9 m -119.7 117.65 28.84 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 125.023 1.329 . . . . 10.0 107.6 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 m -115.68 130.17 70.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 125.863 1.665 . . . . 10.0 108.691 -178.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -117.69 139.01 51.61 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 124.66 1.184 . . . . 10.0 108.796 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.0 p -139.72 133.21 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 C-N-CA 124.194 0.998 . . . . 10.0 109.148 174.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -150.3 159.34 44.52 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.105 1.362 . . . . 10.0 109.806 -170.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -145.5 100.36 3.43 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 108.315 -0.994 . . . . 10.0 108.315 176.222 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 99.6 m -131.14 80.97 1.96 Allowed 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.025 1.73 . . . . 10.0 107.392 -172.244 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.2 t70 66.14 -47.44 0.42 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 127.514 2.325 . . . . 10.0 112.06 -167.41 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -98.41 157.54 16.14 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.807 1.643 . . . . 10.0 110.702 167.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.1 tp -85.35 129.09 34.89 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 108.112 -1.07 . . . . 10.0 108.112 168.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -128.65 137.5 51.68 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.55 0.69 . . . . 10.0 110.655 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.1 p -136.11 138.93 46.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 C-N-CA 125.273 1.429 . . . . 10.0 107.8 170.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -140.13 146.13 38.44 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.993 0.917 . . . . 10.0 111.187 179.032 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.5 mt -132.3 122.17 47.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 C-N-CA 124.76 1.224 . . . . 10.0 109.717 -168.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.0 m -124.65 125.57 44.34 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 124.309 1.044 . . . . 10.0 109.124 171.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.25 145.17 51.79 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.908 0.883 . . . . 10.0 110.965 177.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -131.06 142.7 50.32 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 125.566 1.546 . . . . 10.0 110.102 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -120.28 107.11 12.57 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 126.096 1.758 . . . . 10.0 107.776 -176.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -100.03 112.84 25.13 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 107.847 -1.168 . . . . 10.0 107.847 175.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 23.6 mt -112.94 151.94 29.94 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 126.54 1.936 . . . . 10.0 110.553 -173.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.431 ' C ' ' H ' ' A' ' 63' ' ' LEU . 46.4 t0 -66.3 147.2 53.66 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.435 -0.348 . . . . 10.0 111.069 176.32 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -69.23 24.79 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.238 1.815 . . . . 10.0 113.302 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.431 ' H ' ' C ' ' A' ' 61' ' ' ASP . 96.6 mt -139.89 7.47 2.27 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 128.998 2.919 . . . . 10.0 111.847 -175.171 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.7 t -134.22 163.24 30.05 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.922 0.889 . . . . 10.0 112.772 172.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -145.09 94.68 2.56 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 127.257 2.223 . . . . 10.0 108.867 -172.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.02 -178.4 6.09 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.55 1.14 . . . . 10.0 112.313 172.137 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -85.33 144.99 41.59 Favored Pre-proline 0 CA--C 1.548 0.891 0 O-C-N 120.897 -1.127 . . . . 10.0 111.548 -169.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -74.29 47.72 1.64 Allowed 'Trans proline' 0 CA--C 1.547 1.137 1 C-N-CA 126.033 4.489 . . . . 10.0 114.065 -171.495 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.01 8.87 0.02 OUTLIER Glycine 0 CA--C 1.538 1.514 0 C-N-CA 127.132 2.301 . . . . 10.0 114.467 176.081 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -64.16 -27.3 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-N 119.7 1.75 . . . . 10.0 113.599 -169.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.5 t -70.77 -53.76 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 125.488 1.515 . . . . 10.0 109.895 173.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.99 -45.08 79.09 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 126.848 2.059 . . . . 10.0 110.438 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -64.56 -35.41 80.9 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 118.467 -0.778 . . . . 10.0 112.717 172.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.452 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -68.21 -42.06 80.39 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 120.162 1.346 . . . . 10.0 111.298 176.6 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 40.3 t -67.69 -45.2 85.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 125.626 1.57 . . . . 10.0 111.069 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -58.55 -42.86 88.85 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.915 1.686 . . . . 10.0 111.425 170.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.95 -41.4 99.5 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 118.45 0.568 . . . . 10.0 111.085 175.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.78 -39.8 95.13 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 118.902 0.774 . . . . 10.0 113.081 171.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -62.1 -43.13 99.51 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.508 1.049 . . . . 10.0 112.333 173.242 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 46.2 mtt-85 -66.88 -36.36 82.11 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.168 0.895 . . . . 10.0 111.77 173.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.4 t -63.0 -35.42 80.14 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.107 0.963 . . . . 10.0 111.123 174.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -63.77 -43.98 94.77 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.964 0.906 . . . . 10.0 112.103 172.313 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -62.31 -41.39 98.48 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 118.632 0.651 . . . . 10.0 111.149 174.399 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 73.0 m -65.07 -32.39 74.08 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.727 0.811 . . . . 10.0 112.718 174.235 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -66.93 -42.37 85.44 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.279 -0.888 . . . . 10.0 111.402 175.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 N--CA 1.468 0.443 0 CA-C-N 119.226 0.921 . . . . 10.0 111.799 175.309 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 77.2 mt . . . . . 0 CA--C 1.53 0.192 0 CA-C-O 122.602 1.191 . . . . 10.0 107.911 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.7 p -144.87 178.38 8.06 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 127.647 2.379 . . . . 10.0 108.509 -167.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -48.01 -38.1 16.3 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.225 1.01 . . . . 10.0 113.664 -175.396 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.61 -63.03 5.17 Favored Glycine 0 CA--C 1.529 0.964 0 C-N-CA 123.804 0.716 . . . . 10.0 112.747 173.396 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.98 -37.5 74.33 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 117.463 0.631 . . . . 10.0 112.229 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.41 -39.85 85.54 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.588 1.329 . . . . 10.0 114.588 172.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -68.36 -37.82 80.83 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 120.025 1.284 . . . . 10.0 111.857 172.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -68.71 -38.69 80.44 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.009 0.924 . . . . 10.0 112.176 175.205 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.1 mt -64.78 -48.1 85.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 119.224 0.92 . . . . 10.0 109.349 170.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.2 m -58.94 -41.02 86.4 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.416 -0.802 . . . . 10.0 111.205 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.1 m -63.6 -43.7 96.15 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.167 1.387 . . . . 10.0 112.39 172.303 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -59.43 -42.59 92.24 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 118.987 0.812 . . . . 10.0 112.2 176.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.411 HD21 HD13 ' A' ' 82' ' ' LEU . 1.8 mm? -72.07 -39.03 69.31 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 117.877 -1.059 . . . . 10.0 112.552 177.47 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -56.28 -50.08 72.41 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 119.712 1.142 . . . . 10.0 111.292 169.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -64.62 -35.29 80.55 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 118.739 -0.648 . . . . 10.0 111.356 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.7 m -61.12 -47.26 87.1 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.21 0.914 . . . . 10.0 111.727 176.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.508 HG23 ' HB1' ' A' ' 74' ' ' ALA . 52.1 mt -69.31 -46.98 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 CA-C-N 118.547 0.612 . . . . 10.0 110.418 176.583 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.0 m -59.84 -43.91 94.38 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 118.356 0.525 . . . . 10.0 111.972 -179.383 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -65.86 -38.77 89.71 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 118.584 -0.722 . . . . 10.0 111.864 173.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -61.83 -45.91 91.76 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-N 119.672 1.124 . . . . 10.0 110.113 175.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.8 mt -61.29 -52.95 55.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-O 118.166 -0.921 . . . . 10.0 109.568 177.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.4 mp -62.19 -18.05 59.9 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.394 1.257 . . . . 10.0 114.394 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -99.71 0.56 42.07 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.539 1.136 . . . . 10.0 113.348 172.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.4 tpt85 -124.61 -26.57 3.82 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.811 1.244 . . . . 10.0 113.523 -176.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.2 t -143.21 145.84 22.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 127.727 2.411 . . . . 10.0 108.278 173.512 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.5 t -80.53 132.33 35.66 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 120.499 -1.376 . . . . 10.0 112.057 -175.426 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.26 -24.94 4.94 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.707 1.203 . . . . 10.0 113.333 168.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -70.68 -12.8 61.78 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.733 1.012 . . . . 10.0 113.733 174.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -97.99 -14.3 20.64 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.432 1.493 . . . . 10.0 111.986 172.404 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 69.3 mt -94.67 126.03 47.18 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 124.879 1.272 . . . . 10.0 109.696 -168.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.0 t -72.12 -52.4 24.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 C-N-CA 124.471 1.108 . . . . 10.0 108.69 169.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -162.12 174.12 13.39 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.624 0.77 . . . . 10.0 112.777 169.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.4 pt -133.11 133.04 58.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 C-N-CA 125.609 1.564 . . . . 10.0 109.542 171.153 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -117.67 107.18 13.9 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 108.697 -0.853 . . . . 10.0 108.697 -174.381 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 74.0 mt -131.02 117.59 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 123.493 0.717 . . . . 10.0 109.175 -172.031 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 96.7 m -119.91 129.82 54.53 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 125.531 1.532 . . . . 10.0 109.418 177.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.7 t -115.77 136.1 53.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 C-N-CA 124.534 1.134 . . . . 10.0 108.687 174.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -117.66 135.9 53.69 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.086 1.355 . . . . 10.0 108.277 174.126 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.6 p -139.96 130.94 31.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 123.625 0.77 . . . . 10.0 110.203 173.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -141.91 160.05 40.98 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.769 1.228 . . . . 10.0 111.223 -173.191 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -135.92 108.43 7.41 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 107.941 -1.133 . . . . 10.0 107.941 171.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 95.1 m -131.66 86.64 2.37 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.006 -1.059 . . . . 10.0 109.23 174.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.6 t70 65.0 -35.12 0.18 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 127.172 2.189 . . . . 10.0 113.434 -168.253 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -122.96 156.62 34.38 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.678 1.991 . . . . 10.0 110.04 168.381 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 tt -85.43 128.98 34.91 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.058 1.343 . . . . 10.0 109.068 176.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -128.04 139.98 52.23 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.797 1.239 . . . . 10.0 110.072 177.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 11.5 p -136.4 140.63 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 124.682 1.193 . . . . 10.0 109.917 174.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -141.03 146.24 36.95 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.581 1.552 . . . . 10.0 110.793 -173.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.6 mm -130.73 131.19 64.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 125.193 1.397 . . . . 10.0 108.617 -170.04 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.0 t -131.58 122.15 25.59 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.572 1.149 . . . . 10.0 109.409 169.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.28 143.93 50.91 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.02 0.928 . . . . 10.0 112.072 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.12 147.37 41.84 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 126.046 1.739 . . . . 10.0 111.221 177.637 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 59.5 tp -128.12 118.31 23.19 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 124.97 1.308 . . . . 10.0 110.678 -175.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -114.15 103.03 10.71 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 122.119 0.962 . . . . 10.0 109.854 178.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 42.9 mt -89.35 152.26 21.62 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 126.992 2.117 . . . . 10.0 111.492 176.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.437 ' C ' ' H ' ' A' ' 63' ' ' LEU . 37.5 t0 -62.56 147.51 48.86 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.276 170.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -64.95 18.95 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 127.773 2.429 . . . . 10.0 113.53 -178.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.437 ' H ' ' C ' ' A' ' 61' ' ' ASP . 97.3 mt -138.63 7.25 2.53 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 128.733 2.813 . . . . 10.0 112.306 -173.757 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.3 t -125.88 156.43 39.65 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.903 0.881 . . . . 10.0 111.682 169.36 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -140.59 94.64 2.75 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 126.905 2.082 . . . . 10.0 108.118 -174.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.86 178.51 7.27 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.704 1.201 . . . . 10.0 111.819 173.201 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -85.42 145.01 41.4 Favored Pre-proline 0 CA--C 1.546 0.814 0 O-C-N 120.881 -1.137 . . . . 10.0 112.05 -169.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -73.07 61.45 3.96 Favored 'Trans proline' 0 CA--C 1.543 0.933 1 C-N-CA 125.863 4.376 . . . . 10.0 112.79 -173.587 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 166.86 -10.3 0.06 OUTLIER Glycine 0 CA--C 1.536 1.401 0 C-N-CA 126.645 2.069 . . . . 10.0 114.034 -175.33 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.2 tt -57.98 -26.03 27.59 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 CA-C-N 119.431 1.615 . . . . 10.0 114.54 -173.426 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 96.9 t -76.85 -53.65 14.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 125.387 1.475 . . . . 10.0 110.477 171.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -53.11 -36.15 60.44 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.13 1.372 . . . . 10.0 111.721 177.013 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -63.65 -37.28 86.73 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 122.975 0.51 . . . . 10.0 111.625 171.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.508 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -69.23 -42.2 75.99 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 119.122 0.874 . . . . 10.0 111.006 178.483 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.484 HG12 ' CE2' ' A' ' 79' ' ' TYR . 1.5 t -70.36 -42.99 78.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-O 118.927 -0.559 . . . . 10.0 110.625 179.209 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -58.7 -42.07 87.78 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.283 1.433 . . . . 10.0 111.738 171.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.92 -41.87 99.61 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 118.82 -0.61 . . . . 10.0 111.246 174.042 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.5 -45.17 88.43 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.208 0.913 . . . . 10.0 112.704 173.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.484 ' CE2' HG12 ' A' ' 75' ' ' VAL . 46.8 m-85 -63.4 -43.66 96.89 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.305 0.957 . . . . 10.0 111.696 178.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -72.39 -37.26 68.75 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.108 0.963 . . . . 10.0 112.6 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.9 t -63.11 -43.69 97.73 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 119.153 -0.451 . . . . 10.0 110.165 172.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.411 HD13 HD21 ' A' ' 18' ' ' LEU . 14.5 tp -64.47 -47.12 80.17 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 118.115 0.416 . . . . 10.0 112.071 176.531 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -59.56 -41.53 90.35 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 119.197 -0.43 . . . . 10.0 111.383 177.504 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.4 t -72.22 -22.45 61.26 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 113.272 0.841 . . . . 10.0 113.272 175.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -80.98 -41.9 22.05 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.835 1.254 . . . . 10.0 112.907 178.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.6 mm? . . . . . 0 C--N 1.35 0.594 0 CA-C-N 118.856 0.753 . . . . 10.0 110.84 169.087 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.8 mt . . . . . 0 CA--C 1.534 0.329 0 CA-C-O 121.006 0.431 . . . . 10.0 111.402 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.0 p -130.17 178.8 6.29 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 126.637 1.975 . . . . 10.0 109.754 177.573 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -48.01 -29.77 3.76 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.625 1.17 . . . . 10.0 113.493 174.105 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.19 -49.85 5.73 Favored Glycine 0 CA--C 1.532 1.13 0 CA-C-N 118.797 0.726 . . . . 10.0 113.406 176.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.62 -42.17 98.21 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.012 0.925 . . . . 10.0 111.01 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.6 mt -68.33 -35.19 77.41 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 118.365 -0.826 . . . . 10.0 111.432 176.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . 0.269 14.5 t0 -70.15 -35.71 74.22 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 114.548 1.314 . . . . 10.0 114.548 170.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -54.72 -42.86 72.05 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 120.277 1.399 . . . . 10.0 109.729 169.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.4 mt -64.89 -46.38 91.97 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 CA-C-O 118.318 -0.849 . . . . 10.0 111.414 172.077 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -43.17 89.25 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 120.625 1.557 . . . . 10.0 111.35 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.4 t -68.81 -37.47 79.24 Favored 'General case' 0 C--N 1.339 0.109 0 CA-C-O 118.026 -0.988 . . . . 10.0 111.829 175.271 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -60.68 -42.46 97.16 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.526 1.057 . . . . 10.0 111.688 176.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.439 HD21 HD13 ' A' ' 82' ' ' LEU . 1.5 mm? -72.96 -41.8 64.05 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 118.286 -0.864 . . . . 10.0 112.92 175.306 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -56.41 -47.87 78.13 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.335 0.97 . . . . 10.0 111.282 174.139 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -63.63 -38.47 91.25 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.246 0.618 . . . . 10.0 111.906 175.061 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 91.6 m -62.16 -46.46 88.86 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 119.363 0.983 . . . . 10.0 111.567 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.465 HG23 ' HB1' ' A' ' 74' ' ' ALA . 57.4 mt -69.63 -43.11 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 CA-C-N 118.361 0.528 . . . . 10.0 110.601 177.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 t -56.99 -50.7 71.91 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.075 0.55 . . . . 10.0 111.728 176.044 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.82 -38.97 87.26 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 118.175 -0.917 . . . . 10.0 113.278 173.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -61.53 -45.62 93.39 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 120.039 1.291 . . . . 10.0 111.119 175.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 70.0 mt -64.24 -53.13 47.15 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 123.962 0.905 . . . . 10.0 109.273 178.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.43 -19.41 64.68 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 113.878 1.066 . . . . 10.0 113.878 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -100.11 0.93 41.68 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.351 1.061 . . . . 10.0 112.989 175.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.4 ' HB3' HD11 ' A' ' 70' ' ' ILE . 47.6 mtt180 -116.12 -34.35 4.73 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.974 1.472 . . . . 10.0 114.974 169.541 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.9 p -138.22 140.14 40.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 124.912 1.285 . . . . 10.0 109.798 -174.286 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.1 t -78.92 135.96 37.12 Favored 'General case' 0 C--O 1.225 -0.217 0 O-C-N 121.515 -0.74 . . . . 10.0 110.956 -176.053 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.41 -25.13 3.57 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.642 1.177 . . . . 10.0 113.488 169.075 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -61.3 -20.23 62.67 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.992 1.108 . . . . 10.0 113.992 171.4 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -95.6 -13.37 24.44 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.457 1.903 . . . . 10.0 111.498 176.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.9 mm -106.6 123.86 61.77 Favored 'Isoleucine or valine' 0 C--N 1.343 0.289 0 C-N-CA 125.319 1.448 . . . . 10.0 110.198 -168.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 38.2 t -70.64 -51.88 33.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 C-N-CA 124.111 0.964 . . . . 10.0 109.477 169.229 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -165.96 177.16 7.26 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.493 0.717 . . . . 10.0 112.321 175.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.8 pt -132.27 142.71 42.0 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 125.165 1.386 . . . . 10.0 111.233 170.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -113.53 121.71 45.07 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 107.656 -1.239 . . . . 10.0 107.656 167.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.2 mt -131.21 120.23 46.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 108.219 -1.03 . . . . 10.0 108.219 174.169 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 86.1 m -119.77 124.87 47.23 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 124.79 1.236 . . . . 10.0 108.836 176.481 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.7 t -111.55 117.92 56.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 N-CA-C 106.566 -1.642 . . . . 10.0 106.566 170.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.0 mt -102.97 139.12 38.95 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 125.222 1.409 . . . . 10.0 108.163 174.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.9 p -139.08 139.4 40.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 108.309 -0.997 . . . . 10.0 108.309 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -148.75 153.57 38.36 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.924 0.89 . . . . 10.0 110.282 -169.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -133.48 102.48 5.53 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 121.433 0.635 . . . . 10.0 109.956 170.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.2 t -131.14 80.92 1.96 Allowed 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.727 1.211 . . . . 10.0 108.589 -178.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.9 t70 65.29 -39.55 0.28 Allowed 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 127.813 2.445 . . . . 10.0 113.247 -167.153 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -111.13 159.62 17.67 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 127.563 2.345 . . . . 10.0 111.064 168.549 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -85.44 129.0 34.91 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.762 1.225 . . . . 10.0 108.433 171.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -122.69 147.15 46.8 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.464 0.65 . . . . 10.0 111.148 169.526 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.5 p -136.13 132.72 50.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 126.033 1.733 . . . . 10.0 107.278 169.212 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -138.87 130.44 27.38 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.996 1.318 . . . . 10.0 107.509 -169.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.2 mt -126.29 131.6 71.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 123.034 0.534 . . . . 10.0 109.642 -169.174 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.4 t -131.44 126.56 35.4 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 125.144 1.378 . . . . 10.0 109.173 175.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.12 149.56 52.54 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.866 0.867 . . . . 10.0 111.164 177.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.26 146.67 40.7 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.626 1.57 . . . . 10.0 110.185 175.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 35.2 tp -127.94 104.24 7.69 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 125.82 1.648 . . . . 10.0 109.2 -172.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -91.48 104.67 17.15 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.286 -1.005 . . . . 10.0 108.286 -178.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.4 mt -82.01 151.75 26.99 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 124.995 1.318 . . . . 10.0 110.027 175.099 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.428 ' C ' ' H ' ' A' ' 63' ' ' LEU . 25.9 t0 -62.38 147.12 49.44 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.7 -0.682 . . . . 10.0 110.728 168.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -70.43 25.37 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 126.048 1.739 . . . . 10.0 113.088 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.428 ' H ' ' C ' ' A' ' 61' ' ' ASP . 1.0 OUTLIER -152.8 7.61 0.42 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 129.135 2.974 . . . . 10.0 111.776 -171.532 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.4 m -132.37 149.46 52.35 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.678 1.591 . . . . 10.0 111.342 -178.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -144.1 94.57 2.6 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.414 1.086 . . . . 10.0 110.366 -169.247 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.57 -171.53 3.68 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.922 1.289 . . . . 10.0 111.613 168.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -85.36 142.26 37.68 Favored Pre-proline 0 CA--C 1.547 0.858 0 O-C-N 120.589 -1.319 . . . . 10.0 112.041 -169.571 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -74.12 57.84 4.09 Favored 'Trans proline' 0 CA--C 1.544 1.007 1 C-N-CA 125.8 4.333 . . . . 10.0 113.049 -173.148 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 171.15 -10.88 0.04 OUTLIER Glycine 0 CA--C 1.536 1.349 0 C-N-CA 126.461 1.982 . . . . 10.0 114.34 -176.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.4 HD11 ' HB3' ' A' ' 29' ' ' ARG . 2.2 tt -53.64 -30.54 18.64 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 C-N-CA 125.568 1.547 . . . . 10.0 114.502 -172.006 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.8 t -75.17 -54.0 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.752 1.221 . . . . 10.0 110.439 177.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -58.34 -41.04 83.74 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.542 1.137 . . . . 10.0 111.347 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -63.93 -31.63 72.88 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 118.559 -0.734 . . . . 10.0 112.32 172.156 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.465 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -67.54 -40.41 85.01 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.88 1.218 . . . . 10.0 111.241 174.243 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.418 HG12 ' CE2' ' A' ' 79' ' ' TYR . 1.6 t -73.21 -43.07 57.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 118.372 -0.823 . . . . 10.0 110.839 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -58.74 -39.03 79.73 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 119.665 1.12 . . . . 10.0 110.662 169.416 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.83 -41.11 99.19 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 120.394 1.452 . . . . 10.0 111.222 175.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.96 -45.09 96.12 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.947 0.794 . . . . 10.0 112.772 170.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.418 ' CE2' HG12 ' A' ' 75' ' ' VAL . 50.7 m-85 -63.5 -43.03 98.41 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.403 1.001 . . . . 10.0 112.305 177.425 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.1 mmp_? -67.34 -43.25 82.0 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.073 1.749 . . . . 10.0 111.52 177.537 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 37.6 m -63.14 -45.59 91.23 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-O 118.322 -0.847 . . . . 10.0 110.059 174.425 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.439 HD13 HD21 ' A' ' 18' ' ' LEU . 15.4 tp -63.35 -41.38 98.86 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-N 118.685 0.675 . . . . 10.0 112.304 178.255 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -59.35 -41.53 89.43 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.846 0.858 . . . . 10.0 110.862 173.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 29.9 p -69.22 -31.72 70.49 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.25 0.833 . . . . 10.0 113.25 176.043 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -80.96 -42.23 21.59 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.449 1.1 . . . . 10.0 112.431 -178.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 N--CA 1.467 0.391 0 C-N-CA 123.788 0.835 . . . . 10.0 111.546 175.023 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 N--CA 1.455 -0.209 0 CA-C-O 121.258 0.551 . . . . 10.0 110.765 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.9 t -141.27 -171.16 3.23 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.509 1.524 . . . . 10.0 109.488 173.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -50.32 -39.5 46.03 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.734 1.214 . . . . 10.0 112.166 -173.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.26 -46.69 93.4 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 123.837 0.732 . . . . 10.0 114.189 177.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.82 -44.0 94.55 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.803 1.301 . . . . 10.0 110.514 176.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.7 mp -66.01 -36.69 83.96 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.076 0.95 . . . . 10.0 113.263 176.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -66.84 -44.18 81.74 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.279 1.032 . . . . 10.0 111.562 170.308 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -62.01 -44.09 97.45 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 118.967 0.803 . . . . 10.0 111.541 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -64.75 -43.03 96.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 123.233 0.613 . . . . 10.0 110.721 173.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.4 m -61.33 -37.4 83.12 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 121.642 -0.661 . . . . 10.0 112.149 176.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.7 t -68.31 -43.94 76.52 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-O 117.86 -1.067 . . . . 10.0 110.841 171.081 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -56.94 -38.92 73.58 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 120.48 1.491 . . . . 10.0 111.974 177.225 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.3 mt -65.5 -51.45 59.93 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.68 0.792 . . . . 10.0 112.044 171.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -59.63 -46.36 89.24 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.918 0.781 . . . . 10.0 112.25 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -60.66 -42.41 96.97 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.061 1.344 . . . . 10.0 110.825 174.253 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.6 m -61.01 -47.31 87.05 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.209 0.913 . . . . 10.0 110.465 178.288 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.431 HG23 ' HB1' ' A' ' 74' ' ' ALA . 47.7 mt -62.79 -49.39 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-N 118.314 0.506 . . . . 10.0 110.465 176.636 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.2 t -59.05 -47.1 86.45 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.211 0.604 . . . . 10.0 112.186 -177.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -65.32 -38.48 90.3 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.736 -0.602 . . . . 10.0 111.943 176.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -66.85 -37.69 84.93 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.313 -0.867 . . . . 10.0 111.989 175.159 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.6 mt -62.2 -52.98 53.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 CA-C-O 118.267 -0.873 . . . . 10.0 109.071 171.34 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.1 mp -59.02 -30.44 68.01 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 113.602 0.964 . . . . 10.0 113.602 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.12 -17.62 52.05 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.763 1.023 . . . . 10.0 113.763 173.245 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -100.32 -31.21 11.45 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 114.344 1.238 . . . . 10.0 114.344 177.283 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 38.6 t -145.52 139.34 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 126.552 1.941 . . . . 10.0 108.972 -175.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.4 t -76.48 136.39 39.38 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 113.822 1.045 . . . . 10.0 113.822 -176.063 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.91 -24.62 3.74 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 123.908 0.883 . . . . 10.0 112.404 165.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -70.57 -22.63 62.56 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 114.71 1.374 . . . . 10.0 114.71 173.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -113.03 -11.47 13.36 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 119.701 1.137 . . . . 10.0 112.745 -177.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.1 mt -85.76 128.03 39.6 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 126.545 1.938 . . . . 10.0 108.301 168.074 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.6 t -73.49 -49.17 38.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 123.851 0.86 . . . . 10.0 109.568 168.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -161.84 174.89 12.53 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 121.706 0.765 . . . . 10.0 112.747 172.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 pp -130.56 143.24 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 C-N-CA 125.21 1.404 . . . . 10.0 110.559 169.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -119.16 127.97 53.82 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 106.318 -1.734 . . . . 10.0 106.318 168.347 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 62.3 mt -131.31 126.52 58.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 N-CA-C 107.317 -1.364 . . . . 10.0 107.317 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 94.7 m -118.95 117.58 29.21 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 107.744 -1.206 . . . . 10.0 107.744 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.6 t -115.69 123.05 70.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 N-CA-C 107.394 -1.335 . . . . 10.0 107.394 169.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.8 mt -117.77 138.25 52.18 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 124.072 0.949 . . . . 10.0 108.542 171.184 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.6 p -139.57 131.08 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 C-N-CA 124.114 0.966 . . . . 10.0 108.673 -179.31 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -147.28 159.77 43.28 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.961 0.905 . . . . 10.0 110.348 -169.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -135.82 113.34 10.81 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.422 0.689 . . . . 10.0 109.746 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 98.6 m -131.86 86.46 2.34 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 120.966 -1.084 . . . . 10.0 109.946 171.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.3 t70 64.6 -36.26 0.19 Allowed 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 127.289 2.235 . . . . 10.0 113.728 -168.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -119.8 156.15 31.18 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 128.099 2.56 . . . . 10.0 110.347 169.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 53.7 tp -85.35 129.3 34.84 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 126.351 1.861 . . . . 10.0 110.503 177.18 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -126.65 147.3 49.93 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.769 0.795 . . . . 10.0 111.213 168.35 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 8.9 p -136.11 141.8 40.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 C-N-CA 125.415 1.486 . . . . 10.0 107.975 172.476 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -141.35 125.81 17.7 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.479 1.512 . . . . 10.0 108.8 -166.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.8 mt -132.19 132.53 60.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 123.474 0.71 . . . . 10.0 111.577 -169.015 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.4 t -130.37 139.91 50.63 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.351 1.461 . . . . 10.0 108.944 167.306 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.43 143.36 50.39 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.284 0.633 . . . . 10.0 110.496 169.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -131.49 136.61 48.04 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.845 1.658 . . . . 10.0 109.503 -173.153 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -115.02 122.39 46.06 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 125.492 1.517 . . . . 10.0 108.731 -177.425 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -114.09 102.78 10.49 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 107.851 -1.166 . . . . 10.0 107.851 172.207 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -82.4 152.09 26.33 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 126.243 1.817 . . . . 10.0 111.615 177.358 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.415 ' C ' ' H ' ' A' ' 63' ' ' LEU . 32.5 t0 -58.46 147.29 32.19 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 112.176 0.436 . . . . 10.0 112.176 168.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.48 25.2 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 128.545 2.738 . . . . 10.0 113.671 -178.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.415 ' H ' ' C ' ' A' ' 61' ' ' ASP . 28.4 tp -145.01 1.59 0.99 Allowed 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 129.033 2.933 . . . . 10.0 111.259 -173.194 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.7 m -129.1 155.91 44.71 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.089 1.356 . . . . 10.0 111.775 -169.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -151.56 94.84 2.05 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.542 1.137 . . . . 10.0 109.507 -171.322 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.66 -173.24 3.7 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.764 1.626 . . . . 10.0 113.038 178.448 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -85.46 141.58 36.81 Favored Pre-proline 0 CA--C 1.546 0.825 0 O-C-N 120.771 -1.205 . . . . 10.0 110.275 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -73.89 50.54 2.15 Favored 'Trans proline' 0 CA--C 1.548 1.191 1 C-N-CA 125.879 4.386 . . . . 10.0 113.053 -177.474 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 177.74 4.62 0.02 OUTLIER Glycine 0 CA--C 1.542 1.779 0 C-N-CA 127.771 2.605 . . . . 10.0 114.705 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.2 tt -62.82 -25.31 38.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 CA-C-N 119.472 1.636 . . . . 10.0 114.354 -169.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.4 p -86.14 -37.13 11.38 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.209 0 C-N-CA 124.338 1.055 . . . . 10.0 112.613 176.236 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.65 -36.18 61.8 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.878 1.271 . . . . 10.0 110.723 173.558 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -63.65 -40.93 98.1 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.746 0.819 . . . . 10.0 111.478 172.277 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.431 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -68.13 -42.39 80.24 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.942 0.792 . . . . 10.0 111.943 177.357 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.458 HG12 ' CE2' ' A' ' 79' ' ' TYR . 1.8 t -69.71 -45.25 78.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 CA-C-N 118.279 0.491 . . . . 10.0 110.952 -179.208 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -58.67 -40.12 82.61 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.622 1.169 . . . . 10.0 111.002 172.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.51 94.77 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 120.916 -1.115 . . . . 10.0 112.822 172.406 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.07 -42.72 96.88 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.434 1.016 . . . . 10.0 112.318 172.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.458 ' CE2' HG12 ' A' ' 75' ' ' VAL . 49.2 m-85 -62.78 -43.21 99.4 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.791 -0.568 . . . . 10.0 112.011 174.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -72.29 -38.9 68.64 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 118.364 -0.827 . . . . 10.0 112.824 178.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.6 p -63.2 -40.62 98.03 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 119.266 0.939 . . . . 10.0 110.909 174.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 29.9 tp -64.03 -47.05 81.74 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 118.837 -0.601 . . . . 10.0 112.089 174.085 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -64.66 -41.29 96.19 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 118.881 0.764 . . . . 10.0 111.5 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.6 t -72.12 -19.26 61.82 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.472 0.916 . . . . 10.0 113.472 176.181 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -81.12 -42.39 21.02 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.38 1.072 . . . . 10.0 111.097 169.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 N--CA 1.47 0.55 0 C-N-CA 124.457 1.103 . . . . 10.0 113.515 175.259 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.3 mt . . . . . 0 CA--C 1.534 0.336 0 N-CA-C 110.258 -0.275 . . . . 10.0 110.258 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.2 t -148.74 -166.98 2.7 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.781 0.832 . . . . 10.0 110.79 -178.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -59.11 23.61 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 130.851 3.66 . . . . 10.0 115.818 -176.478 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.46 -49.04 0.04 OUTLIER Glycine 0 CA--C 1.526 0.779 0 C-N-CA 125.736 1.636 . . . . 10.0 111.145 171.183 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.14 -42.54 75.84 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.409 1.484 . . . . 10.0 111.328 179.133 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.9 mt -69.91 -31.99 70.06 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.068 0.947 . . . . 10.0 112.151 170.262 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -67.82 -41.09 83.6 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 122.995 0.518 . . . . 10.0 111.635 174.049 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -61.93 -39.2 91.23 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.146 -0.971 . . . . 10.0 112.423 172.297 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 78.8 mt -64.93 -43.78 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 121.402 -0.811 . . . . 10.0 110.444 172.137 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.9 m -61.07 -40.97 95.71 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.715 0.806 . . . . 10.0 111.572 176.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.3 t -63.31 -43.88 96.58 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 125.734 1.614 . . . . 10.0 111.593 172.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -58.38 -42.49 87.18 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.776 0.716 . . . . 10.0 111.933 173.248 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.95 -51.14 68.06 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.514 0.597 . . . . 10.0 111.835 174.286 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -59.35 -44.03 92.72 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.37 0.668 . . . . 10.0 112.177 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -64.46 -40.1 95.07 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 118.685 -0.674 . . . . 10.0 111.479 173.156 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.3 m -61.16 -47.22 87.19 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.423 1.01 . . . . 10.0 111.83 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.479 HG23 ' HB1' ' A' ' 74' ' ' ALA . 39.3 mt -61.16 -44.75 98.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 CA-C-N 118.554 0.615 . . . . 10.0 110.209 174.292 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.8 m -60.44 -50.99 71.38 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.631 0.773 . . . . 10.0 111.729 -178.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -58.76 -38.57 78.78 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 115.686 1.736 . . . . 10.0 115.686 169.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -64.46 -45.89 85.47 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.283 0.947 . . . . 10.0 110.286 177.417 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.5 mt -61.6 -49.43 84.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 124.559 1.143 . . . . 10.0 110.38 176.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.9 -10.67 14.28 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 114.309 1.226 . . . . 10.0 114.309 176.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.2 mtmm -118.24 14.77 13.95 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.118 1.367 . . . . 10.0 112.413 172.246 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.67 -38.67 3.43 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 126.994 2.118 . . . . 10.0 113.226 169.677 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.0 p -146.43 151.64 14.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.798 1.239 . . . . 10.0 110.879 -175.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.3 t -80.51 124.13 28.68 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 121.563 -0.711 . . . . 10.0 111.774 -174.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.84 -24.84 3.83 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.28 1.432 . . . . 10.0 113.705 169.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -58.15 -19.79 35.68 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 113.992 1.108 . . . . 10.0 113.992 170.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -102.98 -8.65 20.47 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.894 1.677 . . . . 10.0 112.197 178.111 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.6 mm -97.39 119.82 45.93 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 C-N-CA 124.723 1.209 . . . . 10.0 108.771 -172.467 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.5 t -68.91 -50.12 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 C-N-CA 124.352 1.061 . . . . 10.0 109.271 170.078 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -164.03 177.05 8.77 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.389 0.885 . . . . 10.0 113.389 171.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.1 pt -131.2 142.53 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 125.55 1.54 . . . . 10.0 110.364 169.49 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -129.1 117.76 21.37 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 124.321 1.049 . . . . 10.0 109.095 173.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.3 mt -128.58 126.36 65.21 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 N-CA-C 107.828 -1.175 . . . . 10.0 107.828 -174.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 53.6 m -119.6 117.6 28.76 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 125.171 1.388 . . . . 10.0 107.682 178.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 m -115.77 120.21 64.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 126.475 1.91 . . . . 10.0 108.161 177.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.0 mp -117.64 138.84 51.69 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 124.533 1.133 . . . . 10.0 108.592 176.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.8 p -139.77 134.68 38.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 123.725 0.81 . . . . 10.0 108.948 172.052 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -145.98 156.37 43.45 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.718 1.207 . . . . 10.0 109.538 -174.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -130.42 108.36 9.91 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 109.453 -0.573 . . . . 10.0 109.453 174.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.8 t -131.26 80.69 1.95 Allowed 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.615 1.166 . . . . 10.0 108.525 -179.008 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.6 t70 62.65 -37.26 0.14 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 128.128 2.571 . . . . 10.0 113.785 -167.157 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -120.23 159.88 24.07 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 128.802 2.841 . . . . 10.0 109.841 171.191 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 63.0 tp -85.05 129.3 34.82 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.535 1.534 . . . . 10.0 110.096 -177.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -116.63 130.73 56.91 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.444 1.098 . . . . 10.0 109.104 172.251 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.9 p -136.25 124.65 36.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 C-N-CA 124.575 1.15 . . . . 10.0 108.692 171.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -135.02 133.53 39.51 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 124.46 1.104 . . . . 10.0 109.634 -167.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 38.2 mt -132.04 127.17 57.66 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.116 0 C-N-CA 123.981 0.912 . . . . 10.0 108.831 -169.336 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.8 m -131.87 133.03 44.17 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 123.705 0.802 . . . . 10.0 109.832 168.311 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.21 142.08 50.13 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.654 0.781 . . . . 10.0 110.512 176.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -131.4 139.67 49.49 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.787 1.635 . . . . 10.0 109.396 172.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.7 tp -128.06 115.2 18.09 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 126.33 1.852 . . . . 10.0 108.007 -170.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -107.37 110.08 21.97 Favored 'General case' 0 CA--C 1.528 0.105 0 N-CA-C 109.643 -0.503 . . . . 10.0 109.643 -172.523 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -82.22 151.95 26.63 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 126.596 1.959 . . . . 10.0 110.941 176.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.431 ' C ' ' H ' ' A' ' 63' ' ' LEU . 34.2 t0 -61.38 147.53 44.58 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.245 167.126 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -64.9 29.29 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 127.439 2.296 . . . . 10.0 113.139 177.27 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.431 ' H ' ' C ' ' A' ' 61' ' ' ASP . 8.0 tp -150.74 2.78 0.46 Allowed 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 128.618 2.767 . . . . 10.0 112.602 -172.53 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.8 t -141.59 164.39 30.33 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 119.707 1.14 . . . . 10.0 112.142 171.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -145.48 94.72 2.55 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 127.036 2.134 . . . . 10.0 109.005 -169.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.89 174.81 2.77 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.482 0.713 . . . . 10.0 112.262 169.53 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -85.29 142.67 38.23 Favored Pre-proline 0 CA--C 1.546 0.79 0 O-C-N 120.912 -1.118 . . . . 10.0 112.026 -168.609 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -73.99 58.88 4.27 Favored 'Trans proline' 0 CA--C 1.544 1.021 1 C-N-CA 125.842 4.361 . . . . 10.0 113.258 -170.248 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 172.27 -11.66 0.04 OUTLIER Glycine 0 CA--C 1.536 1.384 0 C-N-CA 126.593 2.044 . . . . 10.0 114.132 -178.277 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.5 tt -55.28 -28.61 21.99 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 C-N-CA 125.721 1.608 . . . . 10.0 114.745 -173.173 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 79.5 t -80.1 -49.34 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 126.116 1.766 . . . . 10.0 111.292 176.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -57.13 -38.0 72.83 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.536 1.135 . . . . 10.0 111.262 174.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -63.84 -39.72 94.88 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 118.808 -0.615 . . . . 10.0 111.523 170.236 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.479 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -66.93 -41.17 87.47 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 119.62 1.1 . . . . 10.0 111.674 179.214 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 45.9 t -65.51 -50.76 70.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 125.23 1.412 . . . . 10.0 110.659 177.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -58.68 -39.08 79.66 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 119.202 0.91 . . . . 10.0 112.018 171.055 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.27 -38.13 89.97 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 119.49 1.041 . . . . 10.0 111.397 176.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.08 -43.56 91.78 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 118.641 0.655 . . . . 10.0 112.134 169.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -62.72 -43.4 98.91 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 119.213 0.915 . . . . 10.0 113.195 176.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.411 HH21 ' CD ' ' A' ' 83' ' ' GLU . 2.8 mtp180 -71.88 -34.69 69.38 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.653 0.781 . . . . 10.0 110.854 177.573 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.9 m -63.49 -39.19 93.79 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.772 -0.58 . . . . 10.0 111.552 170.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.0 tp -66.02 -42.5 89.55 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 123.522 0.729 . . . . 10.0 112.096 173.323 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.411 ' CD ' HH21 ' A' ' 80' ' ' ARG . 80.6 tt0 -59.5 -41.29 89.55 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.352 0.661 . . . . 10.0 111.195 175.393 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.8 m -71.75 -29.3 64.36 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.49 0.922 . . . . 10.0 113.49 170.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -67.18 -42.45 84.21 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.224 -0.923 . . . . 10.0 110.762 176.004 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.4 mm? . . . . . 0 N--CA 1.471 0.599 0 CA-C-N 119.763 1.165 . . . . 10.0 112.303 174.08 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 CA--C 1.533 0.29 0 N-CA-C 108.68 -0.859 . . . . 10.0 108.68 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.3 t -149.32 175.16 11.67 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 125.77 1.628 . . . . 10.0 109.588 -169.048 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -61.9 41.22 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 129.973 3.309 . . . . 10.0 114.044 173.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.62 -58.68 0.01 OUTLIER Glycine 0 CA--C 1.528 0.905 0 C-N-CA 128.282 2.848 . . . . 10.0 109.214 176.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.01 -44.47 96.64 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 117.83 0.815 . . . . 10.0 111.782 173.013 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.4 mt -67.1 -41.23 86.6 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.025 0.53 . . . . 10.0 111.433 179.059 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -70.21 -35.87 74.19 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 114.394 1.257 . . . . 10.0 114.394 174.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -54.83 -43.33 72.9 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.677 1.126 . . . . 10.0 110.503 169.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 92.2 mt -65.18 -42.61 94.62 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 C-N-CA 123.342 0.657 . . . . 10.0 111.689 172.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.72 -43.28 90.09 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 119.565 1.075 . . . . 10.0 111.18 176.313 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.9 t -67.56 -43.87 79.62 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 125.192 1.397 . . . . 10.0 111.553 177.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -59.72 -42.62 93.48 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 118.601 0.637 . . . . 10.0 111.841 175.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.6 mt -68.54 -44.8 73.79 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.266 0.626 . . . . 10.0 111.898 176.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -58.62 -49.18 78.43 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.374 0.534 . . . . 10.0 111.29 175.034 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -60.7 -39.4 88.4 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-O 118.588 -0.72 . . . . 10.0 112.029 173.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.8 m -61.02 -42.8 99.15 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.715 1.143 . . . . 10.0 111.264 -178.252 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.473 HG23 ' HB1' ' A' ' 74' ' ' ALA . 45.5 mt -70.44 -47.31 66.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 CA-C-N 118.294 0.497 . . . . 10.0 110.971 172.649 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.1 t -60.78 -48.17 83.01 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.205 0.602 . . . . 10.0 112.073 -175.304 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -66.63 -33.68 76.19 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.459 1.104 . . . . 10.0 112.457 175.078 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -62.64 -45.92 90.6 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 119.683 1.129 . . . . 10.0 110.427 171.117 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.0 mt -63.63 -50.03 79.84 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 123.987 0.915 . . . . 10.0 110.271 178.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -59.01 -18.97 39.34 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.031 1.332 . . . . 10.0 113.743 178.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -112.66 9.67 19.31 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.55 1.14 . . . . 10.0 112.462 176.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.69 -38.78 4.19 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.553 1.941 . . . . 10.0 112.461 169.031 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.411 HG11 HD21 ' A' ' 60' ' ' LEU . 10.7 t -142.06 146.68 22.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 125.63 1.572 . . . . 10.0 109.639 -177.707 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.1 t -79.84 136.31 36.67 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 114.934 1.457 . . . . 10.0 114.934 -168.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.69 -24.82 9.32 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 120.975 -1.078 . . . . 10.0 113.232 167.141 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -71.21 -22.7 61.98 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.918 1.081 . . . . 10.0 113.918 173.22 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -113.97 2.82 15.14 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.063 0.945 . . . . 10.0 112.466 -177.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 73.5 mt -99.14 125.82 52.56 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 126.434 1.894 . . . . 10.0 107.728 172.361 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.5 t -71.32 -53.32 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 C-N-CA 124.289 1.036 . . . . 10.0 109.069 169.519 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -164.44 177.06 8.47 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.667 0.787 . . . . 10.0 112.162 172.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.9 pt -134.0 129.62 54.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 125.484 1.514 . . . . 10.0 111.048 174.083 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -97.27 119.76 36.39 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 107.842 -1.17 . . . . 10.0 107.842 168.159 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 87.2 mt -131.18 121.08 48.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 N-CA-C 108.683 -0.858 . . . . 10.0 108.683 172.277 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 71.5 m -119.74 117.89 29.42 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 125.112 1.365 . . . . 10.0 108.383 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.4 t -115.7 120.15 63.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 124.475 1.11 . . . . 10.0 108.838 172.211 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.4 mp -117.71 139.32 51.19 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.819 1.647 . . . . 10.0 109.089 175.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.9 p -136.78 137.25 47.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 O-C-N 121.559 -0.713 . . . . 10.0 109.194 176.098 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -149.9 152.08 34.48 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.492 1.117 . . . . 10.0 109.793 -168.234 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -139.0 101.74 4.36 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 106.83 -1.545 . . . . 10.0 106.83 178.292 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -130.82 81.53 2.0 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 126.264 1.825 . . . . 10.0 107.565 -169.426 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.5 t70 68.92 -34.82 0.28 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 127.655 2.382 . . . . 10.0 112.503 -167.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -133.94 159.81 39.61 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.257 1.823 . . . . 10.0 110.234 169.269 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 40.4 tp -85.03 128.91 34.83 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.423 1.489 . . . . 10.0 109.381 -177.004 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -135.88 147.44 48.19 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 122.231 1.015 . . . . 10.0 111.428 174.043 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.0 p -136.16 133.12 50.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 125.199 1.399 . . . . 10.0 108.345 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -117.94 129.18 55.46 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 126.078 1.751 . . . . 10.0 107.449 -174.344 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 31.7 mt -130.15 127.34 63.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 N-CA-C 108.177 -1.046 . . . . 10.0 108.177 178.311 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.0 m -131.87 133.98 45.22 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 123.718 0.807 . . . . 10.0 109.997 168.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.26 145.92 52.1 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.034 0.934 . . . . 10.0 110.829 174.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.76 147.37 39.01 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.489 1.515 . . . . 10.0 110.202 174.53 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 68.0 tp -127.97 104.22 7.68 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 125.485 1.514 . . . . 10.0 110.393 -169.195 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -94.02 102.96 15.05 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 108.785 -0.82 . . . . 10.0 108.785 -178.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.411 HD21 HG11 ' A' ' 30' ' ' VAL . 77.1 mt -87.45 152.07 22.53 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 125.318 1.447 . . . . 10.0 112.356 179.192 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -59.63 147.11 38.55 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.502 -0.772 . . . . 10.0 110.742 169.336 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -72.58 36.41 0.07 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.296 1.839 . . . . 10.0 113.715 -175.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.0 tt -146.97 -37.94 0.21 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 127.098 2.159 . . . . 10.0 111.182 -169.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.9 m -86.99 159.24 19.06 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.555 0.742 . . . . 10.0 112.465 175.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -150.07 94.76 2.19 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.168 1.387 . . . . 10.0 108.493 -174.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.7 -178.03 6.89 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.048 1.339 . . . . 10.0 112.579 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -85.36 143.2 38.69 Favored Pre-proline 0 CA--C 1.548 0.877 0 O-C-N 120.822 -1.173 . . . . 10.0 112.169 -168.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -74.23 58.35 4.3 Favored 'Trans proline' 0 CA--C 1.544 1.014 1 C-N-CA 125.886 4.391 . . . . 10.0 113.726 -169.611 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 177.75 -19.78 0.04 OUTLIER Glycine 0 CA--C 1.534 1.251 0 C-N-CA 126.356 1.932 . . . . 10.0 113.711 -178.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.2 tt -53.33 -24.5 8.61 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 N-CA-C 116.213 1.931 . . . . 10.0 116.213 -169.139 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 92.1 t -79.31 -56.98 5.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 125.005 1.322 . . . . 10.0 110.765 173.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -55.79 -36.21 67.15 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.708 1.203 . . . . 10.0 111.502 176.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -63.82 -32.01 73.37 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.793 0.837 . . . . 10.0 112.138 172.391 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.473 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -68.94 -40.73 78.82 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 119.333 0.97 . . . . 10.0 111.137 174.022 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.459 HG12 ' CE2' ' A' ' 79' ' ' TYR . 1.6 t -69.86 -43.05 79.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 122.647 0.379 . . . . 10.0 110.641 178.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -58.69 -41.26 85.82 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.601 1.56 . . . . 10.0 111.541 172.285 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.97 -42.07 99.72 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-O 118.962 -0.542 . . . . 10.0 111.832 172.378 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.06 -43.57 98.55 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.106 0.866 . . . . 10.0 112.63 172.546 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.459 ' CE2' HG12 ' A' ' 75' ' ' VAL . 46.5 m-85 -63.83 -43.22 96.84 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.852 0.751 . . . . 10.0 112.017 177.299 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 58.8 mtt-85 -72.55 -33.92 67.15 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 118.96 0.8 . . . . 10.0 112.592 178.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.9 t -63.05 -43.7 97.88 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-O 118.533 -0.746 . . . . 10.0 110.109 170.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 23.8 tp -62.65 -44.25 96.75 Favored 'General case' 0 C--N 1.343 0.296 0 CA-C-O 118.282 -0.866 . . . . 10.0 112.739 174.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -58.74 -41.5 86.6 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 118.98 0.809 . . . . 10.0 111.579 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . 0.332 38.6 m -90.07 -17.65 27.36 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 114.696 1.369 . . . . 10.0 114.696 178.513 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -64.46 -42.31 96.01 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 107.286 -1.376 . . . . 10.0 107.286 164.053 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.4 mm? . . . . . 0 N--CA 1.469 0.517 0 C-N-CA 124.992 1.317 . . . . 10.0 113.788 173.672 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 mp . . . . . 0 CA--C 1.536 0.433 0 N-CA-C 109.676 -0.491 . . . . 10.0 109.676 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.3 t -132.59 -176.07 3.97 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.8 0.84 . . . . 10.0 109.674 170.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -46.68 -39.77 12.0 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.224 1.409 . . . . 10.0 113.218 -172.23 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.45 -56.41 19.93 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 123.815 0.721 . . . . 10.0 113.386 175.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.82 -37.32 86.95 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.084 0.954 . . . . 10.0 111.675 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.9 mt -69.7 -37.42 76.58 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.204 1.002 . . . . 10.0 112.034 177.563 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -67.2 -42.68 83.76 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.899 0.772 . . . . 10.0 111.408 169.6 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -63.44 -38.64 91.92 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.382 0.992 . . . . 10.0 112.938 174.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 52.1 mt -64.94 -43.61 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 O-C-N 121.129 -0.982 . . . . 10.0 110.392 171.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.4 m -61.16 -41.19 96.32 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.404 0.682 . . . . 10.0 111.398 175.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.9 t -63.27 -43.91 96.6 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.211 1.404 . . . . 10.0 111.915 172.34 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -61.21 -41.02 96.12 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.099 0.96 . . . . 10.0 112.066 174.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.2 mt -62.37 -51.38 67.81 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.569 0.748 . . . . 10.0 111.683 172.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.9 t-160 -58.94 -47.72 84.07 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 118.325 0.511 . . . . 10.0 111.673 179.22 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -62.71 -37.15 85.36 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 118.684 -0.674 . . . . 10.0 111.932 175.101 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.9 m -61.14 -46.2 91.54 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.526 1.057 . . . . 10.0 111.232 176.529 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.436 HG23 ' HB1' ' A' ' 74' ' ' ALA . 52.4 mt -65.97 -45.73 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 CA-C-N 118.516 0.598 . . . . 10.0 110.591 175.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.8 t -56.47 -51.14 69.57 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.33 0.652 . . . . 10.0 112.077 177.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.93 -39.0 87.79 Favored 'General case' 0 C--N 1.342 0.25 0 N-CA-C 113.871 1.063 . . . . 10.0 113.871 172.11 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -65.47 -45.57 83.19 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.997 1.271 . . . . 10.0 110.704 179.385 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.8 mt -59.82 -53.12 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-O 117.879 -1.058 . . . . 10.0 109.354 174.428 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.02 -24.46 67.93 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.795 1.179 . . . . 10.0 114.068 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -91.83 1.98 56.81 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.737 1.215 . . . . 10.0 112.696 174.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -119.32 -30.9 4.8 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.248 1.419 . . . . 10.0 114.321 173.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.5 p -151.44 154.09 8.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 127.673 2.389 . . . . 10.0 109.34 177.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.5 t -108.18 136.72 47.38 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 120.264 -1.523 . . . . 10.0 112.7 -169.343 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.67 -24.78 3.58 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.035 1.334 . . . . 10.0 113.862 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 pptp? -53.53 -17.94 2.44 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 116.043 1.868 . . . . 10.0 116.043 169.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -122.48 6.82 9.53 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.12 1.368 . . . . 10.0 114.493 177.329 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 73.0 mt -106.8 128.3 61.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 127.332 2.253 . . . . 10.0 109.318 178.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.9 t -69.44 -54.01 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 123.515 0.726 . . . . 10.0 110.523 170.314 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -164.06 177.04 8.76 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.868 0.867 . . . . 10.0 112.157 174.332 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.8 pp -131.22 143.22 41.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 125.263 1.425 . . . . 10.0 111.254 171.449 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -109.95 119.67 40.07 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 107.643 -1.243 . . . . 10.0 107.643 167.263 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 80.7 mt -131.09 113.64 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 N-CA-C 108.214 -1.032 . . . . 10.0 108.214 173.23 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 48.9 m -119.79 120.52 36.77 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 125.047 1.339 . . . . 10.0 109.067 177.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.5 m -115.51 124.19 71.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 126.051 1.74 . . . . 10.0 108.445 -178.133 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 mp -117.83 133.03 56.34 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 124.768 1.227 . . . . 10.0 108.564 -177.27 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.6 p -139.6 134.66 39.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 123.244 0.618 . . . . 10.0 110.046 177.014 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -147.43 159.87 43.21 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.471 1.109 . . . . 10.0 110.658 -170.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -129.99 109.04 10.56 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 108.829 -0.804 . . . . 10.0 108.829 172.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.2 80.67 1.95 Allowed 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.517 1.527 . . . . 10.0 108.008 -176.258 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.1 t70 63.85 -29.61 0.1 Allowed 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 127.06 2.144 . . . . 10.0 113.684 -167.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -132.44 159.84 38.15 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.951 2.501 . . . . 10.0 109.629 169.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -85.06 128.47 34.65 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 124.905 1.282 . . . . 10.0 108.43 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -129.95 150.32 51.29 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.945 0.898 . . . . 10.0 111.168 176.034 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.7 p -136.0 147.97 27.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 125.46 1.504 . . . . 10.0 108.511 174.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -141.29 146.35 36.66 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 123.849 0.86 . . . . 10.0 111.308 170.213 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.417 HG21 HD11 ' A' ' 22' ' ' ILE . 21.9 mt -132.25 109.01 14.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 C-N-CA 125.023 1.329 . . . . 10.0 109.84 -169.106 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.1 m -103.86 122.17 44.59 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 108.699 -0.852 . . . . 10.0 108.699 171.39 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.17 141.2 50.05 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.481 0.712 . . . . 10.0 110.942 172.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.74 147.11 38.64 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.701 1.6 . . . . 10.0 110.348 178.289 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 66.2 tp -128.02 104.33 7.73 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 125.839 1.656 . . . . 10.0 110.59 -170.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -93.17 102.72 15.02 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 108.767 -0.827 . . . . 10.0 108.767 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.4 mt -82.31 151.91 26.53 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.618 1.167 . . . . 10.0 111.674 176.144 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.435 ' C ' ' H ' ' A' ' 63' ' ' LEU . 32.3 t0 -62.77 147.71 49.03 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.236 0.458 . . . . 10.0 112.236 168.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -64.84 18.5 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 127.642 2.377 . . . . 10.0 113.812 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.435 ' H ' ' C ' ' A' ' 61' ' ' ASP . 94.1 mt -137.52 7.37 2.8 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 128.946 2.898 . . . . 10.0 111.592 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.2 m -115.8 143.31 45.58 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 125.148 1.379 . . . . 10.0 111.697 -172.288 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -139.7 94.68 2.8 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.308 1.443 . . . . 10.0 108.469 178.604 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.74 -170.65 3.21 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.879 1.272 . . . . 10.0 111.995 170.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -85.6 143.29 38.23 Favored Pre-proline 0 CA--C 1.546 0.819 0 O-C-N 121.182 -0.949 . . . . 10.0 111.28 -175.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -73.58 58.5 3.86 Favored 'Trans proline' 0 CA--C 1.545 1.056 1 C-N-CA 125.666 4.244 . . . . 10.0 112.647 -177.253 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 169.07 -1.82 0.04 OUTLIER Glycine 0 CA--C 1.538 1.478 0 C-N-CA 126.656 2.074 . . . . 10.0 114.739 -178.652 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.3 tt -59.47 -26.37 34.1 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 119.171 1.486 . . . . 10.0 114.676 -170.531 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.4 t -80.7 -50.33 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 124.509 1.124 . . . . 10.0 109.536 174.263 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.85 -39.56 65.74 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.752 2.021 . . . . 10.0 111.6 178.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -63.68 -38.17 90.09 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.948 0.899 . . . . 10.0 111.162 173.385 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.436 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -69.64 -41.58 75.42 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.753 0.706 . . . . 10.0 111.4 178.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.501 HG12 ' CE2' ' A' ' 79' ' ' TYR . 2.0 t -67.77 -44.98 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-O 119.179 -0.439 . . . . 10.0 110.528 178.048 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -58.62 -42.93 89.38 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.574 1.15 . . . . 10.0 111.612 172.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.97 -40.48 97.85 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 118.672 -0.68 . . . . 10.0 111.584 174.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.72 -45.14 87.82 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.371 0.987 . . . . 10.0 112.59 173.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.501 ' CE2' HG12 ' A' ' 75' ' ' VAL . 50.4 m-85 -61.24 -43.22 99.23 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.015 0.825 . . . . 10.0 111.869 175.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -72.44 -38.57 68.28 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.838 0.855 . . . . 10.0 112.399 179.163 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 45.5 t -63.0 -41.96 99.72 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.966 0.906 . . . . 10.0 110.343 174.188 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 24.1 tp -61.36 -46.96 88.04 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 118.178 -0.915 . . . . 10.0 111.925 172.119 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -64.21 -41.13 97.17 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 120.168 1.349 . . . . 10.0 112.077 178.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 71.7 m -65.23 -23.03 66.95 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 113.8 1.037 . . . . 10.0 113.8 173.175 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -81.08 -42.07 21.59 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.474 1.109 . . . . 10.0 112.79 169.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.469 0.494 0 C-N-CA 125.835 1.654 . . . . 10.0 112.881 174.149 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 80.6 mt . . . . . 0 CA--C 1.534 0.365 0 CA-C-O 121.054 0.454 . . . . 10.0 110.384 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.5 p -103.57 177.04 4.95 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.647 1.579 . . . . 10.0 110.71 176.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -49.06 -37.71 21.91 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.855 0.862 . . . . 10.0 111.597 169.164 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.49 -46.44 85.29 Favored Glycine 0 CA--C 1.531 1.047 0 CA-C-N 118.491 0.587 . . . . 10.0 113.424 176.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.98 -38.78 86.66 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 117.725 0.762 . . . . 10.0 110.864 178.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.7 mp -64.49 -38.96 92.85 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 114.244 1.201 . . . . 10.0 114.244 169.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -67.13 -40.53 86.8 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 119.326 0.966 . . . . 10.0 111.697 172.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -63.5 -44.17 95.1 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 118.907 0.776 . . . . 10.0 111.654 174.447 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.2 mt -64.99 -45.41 94.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 O-C-N 121.64 -0.662 . . . . 10.0 110.727 175.468 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.6 m -63.2 -38.11 89.9 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.886 -0.509 . . . . 10.0 111.443 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.9 m -66.9 -43.91 82.19 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.545 1.138 . . . . 10.0 111.565 173.597 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -60.11 -41.82 93.41 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.371 0.668 . . . . 10.0 111.74 175.307 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 81.9 mt -63.96 -49.87 70.85 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 118.135 -0.936 . . . . 10.0 111.779 174.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -55.39 -49.97 70.94 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 119.618 1.099 . . . . 10.0 112.24 173.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -62.99 -38.39 90.99 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 109.806 -0.442 . . . . 10.0 109.806 -176.203 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.5 m -61.05 -47.27 87.16 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.321 0.648 . . . . 10.0 111.554 176.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.564 HG23 ' HB1' ' A' ' 74' ' ' ALA . 56.7 mt -65.68 -48.29 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 CA-C-N 119.029 0.831 . . . . 10.0 110.553 176.628 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.8 m -61.26 -44.48 97.17 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.207 0.603 . . . . 10.0 111.961 -177.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -68.41 -38.68 81.49 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 118.671 -0.681 . . . . 10.0 111.837 174.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -60.24 -43.81 95.76 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 119.692 1.133 . . . . 10.0 111.367 173.621 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 27.4 mt -59.92 -52.5 60.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 C-N-CA 124.272 1.029 . . . . 10.0 109.709 175.018 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -61.14 -26.43 67.68 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.515 0.932 . . . . 10.0 113.515 177.378 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -82.38 -17.57 45.06 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 114.006 1.113 . . . . 10.0 114.006 173.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -104.01 -30.72 10.1 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 117.713 -1.136 . . . . 10.0 113.645 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.4 t -143.83 144.29 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.909 1.284 . . . . 10.0 110.063 178.004 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.4 t -74.53 136.24 42.17 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.67 -0.644 . . . . 10.0 112.677 178.275 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.44 -25.06 5.69 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.695 0.798 . . . . 10.0 112.394 167.03 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.3 tttm -65.7 -11.5 45.74 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.613 1.338 . . . . 10.0 114.613 175.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -124.71 9.52 8.3 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.164 0.985 . . . . 10.0 112.744 171.291 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.6 mt -102.61 126.62 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 C-N-CA 124.711 1.204 . . . . 10.0 108.088 172.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.7 t -70.84 -52.71 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 C-N-CA 124.384 1.073 . . . . 10.0 109.855 171.16 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -164.17 177.15 8.6 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.987 0.915 . . . . 10.0 112.343 178.459 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.9 pt -137.61 142.99 35.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.565 1.546 . . . . 10.0 111.632 170.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -113.81 118.67 34.91 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 124.995 1.318 . . . . 10.0 108.492 168.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.9 mt -131.27 121.65 49.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 N-CA-C 108.446 -0.946 . . . . 10.0 108.446 175.338 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 52.1 m -119.72 119.16 32.85 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 126.178 1.791 . . . . 10.0 108.466 176.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.0 t -115.55 120.65 65.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 N-CA-C 107.935 -1.135 . . . . 10.0 107.935 172.551 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 mp -117.85 139.26 51.35 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 125.378 1.471 . . . . 10.0 109.246 178.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.3 p -134.33 138.0 50.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 C-N-CA 123.947 0.899 . . . . 10.0 108.725 177.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -145.75 157.53 43.93 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.759 1.223 . . . . 10.0 110.637 -167.047 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -148.54 99.54 3.02 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.578 -0.701 . . . . 10.0 109.998 175.24 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.3 p -131.03 80.9 1.96 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.248 1.419 . . . . 10.0 109.247 -179.212 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.2 t70 64.92 -35.33 0.18 Allowed 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 127.491 2.317 . . . . 10.0 113.355 -168.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -108.04 149.57 28.26 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.619 1.968 . . . . 10.0 108.993 168.005 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.9 tt -85.24 127.51 34.33 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 107.631 -1.248 . . . . 10.0 107.631 171.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.1 tptt -129.89 146.51 51.61 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.492 0.663 . . . . 10.0 111.443 -178.345 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.8 p -136.17 145.57 30.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 124.735 1.214 . . . . 10.0 108.006 169.538 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -130.41 136.26 48.86 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 126.01 1.724 . . . . 10.0 108.19 175.591 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 21.8 mt -132.25 110.17 16.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 N-CA-C 107.41 -1.33 . . . . 10.0 107.41 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.0 t -117.97 122.11 42.39 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 108.436 -0.95 . . . . 10.0 108.436 175.604 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.28 138.35 49.24 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.073 0.949 . . . . 10.0 110.099 179.182 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -140.51 143.8 35.63 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.839 1.256 . . . . 10.0 109.818 172.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.12 127.46 43.06 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 125.353 1.461 . . . . 10.0 109.916 -171.449 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -107.71 102.93 12.11 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 107.994 -1.113 . . . . 10.0 107.994 -175.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.0 mt -86.91 151.94 22.87 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.583 1.153 . . . . 10.0 112.139 178.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -60.48 146.97 42.85 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 115.81 -0.632 . . . . 10.0 111.614 169.478 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -65.0 -8.13 14.65 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.508 1.299 . . . . 10.0 114.508 -178.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.25 11.99 9.46 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.139 1.776 . . . . 10.0 112.704 177.071 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 78.4 p -59.8 169.74 1.33 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.401 1.88 . . . . 10.0 113.734 169.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -148.67 94.74 2.32 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 122.16 0.981 . . . . 10.0 110.616 177.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -142.63 170.29 15.97 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.791 1.636 . . . . 10.0 112.813 -174.128 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -85.7 142.32 36.93 Favored Pre-proline 0 CA--C 1.55 0.963 0 N-CA-C 113.254 0.835 . . . . 10.0 113.254 -169.273 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -74.83 57.02 4.33 Favored 'Trans proline' 0 CA--C 1.547 1.158 1 C-N-CA 125.833 4.356 . . . . 10.0 112.988 -176.759 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 172.35 -5.24 0.03 OUTLIER Glycine 0 CA--C 1.539 1.547 0 C-N-CA 126.277 1.894 . . . . 10.0 115.18 -176.499 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.2 tt -55.69 -20.12 7.59 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 C-N-CA 126.667 1.987 . . . . 10.0 115.741 -172.032 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 57.9 t -78.66 -53.46 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 125.78 1.632 . . . . 10.0 111.188 175.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -53.01 -36.1 60.12 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.179 1.392 . . . . 10.0 111.373 176.179 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -63.58 -34.64 78.26 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 122.871 0.468 . . . . 10.0 111.516 173.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.564 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -70.6 -41.2 72.6 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-N 119.024 0.829 . . . . 10.0 111.258 178.227 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.49 HG12 ' CE2' ' A' ' 79' ' ' TYR . 1.7 t -67.98 -44.58 84.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 C-N-CA 122.712 0.405 . . . . 10.0 110.378 178.295 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -59.15 -42.02 89.71 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.749 1.619 . . . . 10.0 111.6 172.714 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.03 -41.66 99.59 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.658 0.663 . . . . 10.0 111.845 173.18 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.09 -42.65 99.43 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 119.105 0.866 . . . . 10.0 112.37 172.532 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.49 ' CE2' HG12 ' A' ' 75' ' ' VAL . 47.3 m-85 -63.59 -43.34 97.24 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.066 0.848 . . . . 10.0 112.323 176.208 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 73.0 mtt-85 -68.18 -39.26 82.56 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 118.784 0.72 . . . . 10.0 111.686 176.447 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.0 t -65.84 -29.66 70.16 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-O 117.526 -1.226 . . . . 10.0 112.448 174.04 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 33.0 tp -69.59 -43.58 72.52 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 119.91 1.232 . . . . 10.0 111.387 172.159 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -60.33 -41.51 93.73 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 118.26 0.482 . . . . 10.0 110.977 173.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.1 t -71.85 -30.17 65.17 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.303 0.853 . . . . 10.0 113.303 177.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -68.81 -42.23 77.54 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.161 0.985 . . . . 10.0 110.611 174.013 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.9 mt . . . . . 0 N--CA 1.467 0.415 0 CA-C-N 118.685 0.675 . . . . 10.0 112.389 177.855 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 65.9 mt . . . . . 0 CA--C 1.537 0.462 0 CA-C-O 120.705 0.288 . . . . 10.0 110.751 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.5 t -157.17 -168.05 2.51 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 125.478 1.511 . . . . 10.0 109.977 -176.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -69.04 36.63 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 129.706 3.202 . . . . 10.0 113.349 -177.003 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.15 -45.26 0.02 OUTLIER Glycine 0 CA--C 1.528 0.85 0 C-N-CA 126.654 2.073 . . . . 10.0 110.729 169.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.14 -35.05 73.79 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.707 1.203 . . . . 10.0 113.104 176.053 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.1 mt -67.43 -42.45 83.13 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.131 -0.981 . . . . 10.0 110.676 172.07 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.54 -39.87 92.63 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.01 1.324 . . . . 10.0 111.587 172.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -59.65 -43.96 93.71 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.241 1.016 . . . . 10.0 111.495 171.441 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.5 mt -64.93 -47.87 86.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-N 119.47 1.032 . . . . 10.0 110.945 176.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.51 -41.2 93.85 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.148 0.886 . . . . 10.0 111.281 175.024 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.8 t -60.9 -43.75 98.07 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.126 -0.984 . . . . 10.0 112.329 174.132 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -62.13 -41.67 98.48 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.734 1.214 . . . . 10.0 111.983 175.584 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.5 mt -65.12 -47.38 77.37 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.204 0.602 . . . . 10.0 111.705 173.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.7 t-160 -59.11 -46.85 87.26 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.434 0.694 . . . . 10.0 111.389 176.446 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -60.6 -41.81 95.53 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.815 0.846 . . . . 10.0 111.574 173.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.0 m -61.01 -44.43 97.43 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 118.617 0.644 . . . . 10.0 110.727 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.62 HG23 ' HB1' ' A' ' 74' ' ' ALA . 72.0 mt -70.58 -43.98 77.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-O 118.509 -0.757 . . . . 10.0 111.444 176.439 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.51 -51.86 57.42 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 119.123 0.874 . . . . 10.0 110.92 175.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -71.39 -37.44 71.55 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 114.86 -1.064 . . . . 10.0 111.235 -173.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -58.84 -45.88 89.02 Favored 'General case' 0 C--N 1.345 0.385 0 CA-C-O 119.089 -0.482 . . . . 10.0 110.749 169.514 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.2 mt -63.58 -48.71 85.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-N 119.005 0.821 . . . . 10.0 110.077 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.31 -11.1 13.3 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.151 1.167 . . . . 10.0 114.151 174.363 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.3 mtpt -111.13 4.78 19.61 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.757 1.623 . . . . 10.0 112.968 174.267 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -124.56 -25.55 4.0 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.254 1.422 . . . . 10.0 112.795 177.753 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 23.9 t -144.24 152.43 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 126.284 1.834 . . . . 10.0 109.189 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.9 t -90.2 136.8 32.82 Favored 'General case' 0 N--CA 1.464 0.227 0 O-C-N 121.167 -0.958 . . . . 10.0 112.672 -178.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.42 -24.4 3.05 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.779 1.232 . . . . 10.0 112.323 168.447 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.91 -31.88 13.37 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.754 1.222 . . . . 10.0 113.897 168.006 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -121.34 -15.82 8.02 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 114.561 1.319 . . . . 10.0 114.561 -178.404 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 44.7 mm -70.93 105.77 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 N-CA-C 107.961 -1.125 . . . . 10.0 107.961 169.304 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.4 t -68.97 -49.08 66.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 N-CA-C 109.141 -0.689 . . . . 10.0 109.141 170.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -161.86 177.06 10.2 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 121.398 0.618 . . . . 10.0 112.191 171.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 pp -134.85 143.13 38.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 125.282 1.433 . . . . 10.0 111.23 170.261 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -112.25 129.61 56.21 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 105.185 -2.154 . . . . 10.0 105.185 165.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 68.5 mt -131.36 124.59 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 N-CA-C 107.84 -1.171 . . . . 10.0 107.84 174.661 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.6 t -119.77 119.08 32.58 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.529 0.68 . . . . 10.0 109.891 169.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.7 m -115.87 117.25 54.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 C-N-CA 125.54 1.536 . . . . 10.0 108.582 177.398 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.3 mt -118.02 139.11 51.67 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 125.354 1.461 . . . . 10.0 109.603 -172.542 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.4 p -139.57 137.41 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 C-N-CA 123.889 0.876 . . . . 10.0 110.403 178.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -149.05 159.85 43.85 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.185 1.794 . . . . 10.0 109.336 -173.279 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -141.6 105.16 4.69 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 108.228 -1.027 . . . . 10.0 108.228 174.103 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.3 p -131.17 80.97 1.96 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 126.341 1.856 . . . . 10.0 108.686 -173.382 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.0 t70 65.97 -33.16 0.18 Allowed 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 127.472 2.309 . . . . 10.0 113.479 -168.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -123.19 159.96 27.55 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 127.774 2.43 . . . . 10.0 108.912 169.178 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.8 tp -84.59 129.07 34.89 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 106.858 -1.534 . . . . 10.0 106.858 175.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -125.97 136.91 53.55 Favored 'General case' 0 CA--C 1.526 0.031 0 C-N-CA 123.831 0.853 . . . . 10.0 109.551 -178.174 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.7 p -136.35 142.2 39.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 124.852 1.261 . . . . 10.0 108.297 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -140.76 141.07 34.87 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.197 0.599 . . . . 10.0 110.964 176.689 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 26.4 mt -132.87 129.4 57.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 C-N-CA 124.297 1.039 . . . . 10.0 111.207 -174.007 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.1 t -128.85 136.6 50.68 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 107.594 -1.261 . . . . 10.0 107.594 164.321 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.2 138.21 49.29 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.941 -0.763 . . . . 10.0 108.941 170.218 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -125.1 135.81 53.04 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 124.953 1.301 . . . . 10.0 108.621 -175.149 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.3 mt -116.8 104.34 11.23 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 125.055 1.342 . . . . 10.0 109.216 -172.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -97.68 102.87 14.73 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 108.036 -1.098 . . . . 10.0 108.036 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -85.17 151.88 23.78 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.149 1.38 . . . . 10.0 111.44 176.08 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.41 ' C ' ' H ' ' A' ' 63' ' ' LEU . 45.4 t0 -61.93 147.06 48.05 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.337 0.655 . . . . 10.0 111.603 169.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -71.06 20.0 0.05 OUTLIER 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.875 1.67 . . . . 10.0 113.363 -179.283 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.41 ' H ' ' C ' ' A' ' 61' ' ' ASP . 14.4 mt -144.75 17.42 1.63 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 129.647 3.179 . . . . 10.0 111.037 -174.273 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.6 m -154.03 146.15 23.71 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 119.971 -1.705 . . . . 10.0 111.65 172.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -137.76 94.6 2.92 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.462 1.105 . . . . 10.0 109.438 -167.37 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.91 -176.74 4.06 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 124.821 1.249 . . . . 10.0 111.642 169.056 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -85.58 144.08 39.54 Favored Pre-proline 0 CA--C 1.546 0.815 0 O-C-N 120.67 -1.268 . . . . 10.0 112.216 -169.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -75.28 60.37 5.62 Favored 'Trans proline' 0 CA--C 1.543 0.96 0 C-N-CA 125.197 3.931 . . . . 10.0 112.702 -175.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.16 -3.43 0.03 OUTLIER Glycine 0 CA--C 1.534 1.272 0 N-CA-C 116.637 1.415 . . . . 10.0 116.637 -178.086 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 78.0 mt -59.56 -26.15 33.69 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 CA-C-N 120.18 1.99 . . . . 10.0 113.111 -176.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.02 -53.27 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 123.621 0.768 . . . . 10.0 110.826 169.209 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -58.45 -41.0 84.17 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.738 0.815 . . . . 10.0 110.404 177.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -63.75 -41.38 98.02 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 122.477 0.311 . . . . 10.0 111.277 174.144 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.62 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -69.06 -44.49 72.5 Favored 'General case' 0 C--N 1.344 0.339 0 O-C-N 121.752 -0.593 . . . . 10.0 111.661 -177.491 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.453 HG12 ' CE2' ' A' ' 79' ' ' TYR . 22.0 t -76.17 -33.74 24.85 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-O 118.006 -0.997 . . . . 10.0 110.187 -176.611 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -58.73 -43.04 90.07 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 120.558 1.526 . . . . 10.0 111.481 167.117 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.01 -41.87 99.68 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 122.016 -0.427 . . . . 10.0 110.966 176.389 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.58 -44.87 92.81 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 118.713 -0.661 . . . . 10.0 112.746 172.083 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.453 ' CE2' HG12 ' A' ' 75' ' ' VAL . 29.7 m-85 -63.82 -43.54 95.92 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 119.523 1.056 . . . . 10.0 111.73 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 40.6 mtm180 -72.47 -34.42 67.71 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 118.512 0.596 . . . . 10.0 111.961 178.159 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.6 t -66.45 -25.84 66.92 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 118.172 -0.918 . . . . 10.0 112.95 169.6 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 25.2 tp -80.82 -37.73 29.57 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 119.181 0.901 . . . . 10.0 111.903 174.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -59.07 -41.12 87.2 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.544 1.066 . . . . 10.0 110.698 169.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.5 t -62.76 -27.66 69.44 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.118 0.967 . . . . 10.0 113.35 173.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -81.06 -42.26 21.32 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.61 1.164 . . . . 10.0 112.446 174.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.5 mm? . . . . . 0 N--CA 1.472 0.671 0 C-N-CA 125.648 1.579 . . . . 10.0 113.725 178.342 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.1 mt . . . . . 0 CA--C 1.536 0.421 0 N-CA-C 110.423 -0.214 . . . . 10.0 110.423 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.4 t -153.64 -170.31 3.55 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.653 1.181 . . . . 10.0 110.521 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -58.29 24.54 0.0 OUTLIER 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 131.318 3.847 . . . . 10.0 115.967 -178.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.14 -54.9 0.03 OUTLIER Glycine 0 CA--C 1.524 0.6 0 C-N-CA 126.066 1.793 . . . . 10.0 110.004 171.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -67.39 -41.85 84.31 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.778 0.831 . . . . 10.0 112.363 178.161 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.7 mt -68.93 -34.01 74.66 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.376 -0.828 . . . . 10.0 111.672 170.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -70.15 -35.71 74.23 Favored 'General case' 0 C--O 1.224 -0.247 0 N-CA-C 113.082 0.771 . . . . 10.0 113.082 175.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -54.99 -40.94 70.61 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.229 0.922 . . . . 10.0 110.067 168.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 82.2 mt -67.95 -43.16 85.9 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 CA-C-O 118.611 -0.709 . . . . 10.0 112.164 171.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.7 -42.58 88.92 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 119.9 1.227 . . . . 10.0 111.14 176.572 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.9 t -67.65 -43.97 79.02 Favored 'General case' 0 N--CA 1.458 -0.07 0 C-N-CA 126.625 1.97 . . . . 10.0 111.24 177.538 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -59.51 -42.65 92.71 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.679 0.672 . . . . 10.0 111.768 174.443 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 81.5 mt -67.84 -50.73 55.0 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.16 0.584 . . . . 10.0 111.607 178.363 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -58.23 -48.47 80.3 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.083 0.553 . . . . 10.0 111.418 176.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -61.24 -38.82 88.05 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 118.898 -0.572 . . . . 10.0 111.82 176.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.5 m -61.19 -47.08 87.79 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.084 0.856 . . . . 10.0 110.846 178.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.9 mt -62.81 -44.69 99.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-N 118.554 0.615 . . . . 10.0 110.413 174.438 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.5 t -59.67 -51.2 70.83 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.301 0.64 . . . . 10.0 112.538 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -58.45 -38.79 78.26 Favored 'General case' 0 C--N 1.344 0.352 0 N-CA-C 114.265 1.209 . . . . 10.0 114.265 169.433 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -71.26 -40.43 70.98 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.527 1.058 . . . . 10.0 109.025 -176.031 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 42.5 mt -59.9 -49.02 85.51 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 124.457 1.103 . . . . 10.0 110.172 171.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -60.93 -24.94 66.41 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.487 1.04 . . . . 10.0 113.604 175.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.9 mttp -97.6 9.38 42.65 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.789 1.636 . . . . 10.0 112.655 175.275 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -121.79 -39.0 2.67 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.774 1.63 . . . . 10.0 113.534 175.608 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.5 p -143.84 145.37 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 124.399 1.08 . . . . 10.0 111.679 -175.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.5 t -68.38 112.62 5.35 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.112 0.965 . . . . 10.0 112.058 -177.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.46 -24.87 5.51 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.295 1.438 . . . . 10.0 114.015 170.23 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -65.38 -8.39 18.32 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.02 1.119 . . . . 10.0 114.02 171.124 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -117.67 3.18 12.35 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.842 2.057 . . . . 10.0 111.2 176.59 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.3 mm -100.75 120.95 50.95 Favored 'Isoleucine or valine' 0 C--N 1.34 0.187 0 C-N-CA 125.036 1.334 . . . . 10.0 108.376 177.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.3 t -68.98 -50.44 53.82 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 C-N-CA 124.545 1.138 . . . . 10.0 109.314 171.276 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -165.34 177.18 7.73 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.852 0.861 . . . . 10.0 112.171 175.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.0 pt -135.89 140.17 44.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 125.036 1.334 . . . . 10.0 111.216 169.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -107.47 121.32 44.37 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 107.311 -1.366 . . . . 10.0 107.311 167.4 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 79.9 mt -131.09 122.57 51.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 N-CA-C 108.199 -1.038 . . . . 10.0 108.199 172.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 58.3 m -119.79 121.17 38.53 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 125.454 1.502 . . . . 10.0 108.49 176.448 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.6 t -115.65 123.87 71.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 C-N-CA 124.431 1.092 . . . . 10.0 108.115 171.028 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 mp -117.73 139.15 51.45 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 125.576 1.55 . . . . 10.0 109.093 175.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.2 p -139.52 131.3 34.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 C-N-CA 123.727 0.811 . . . . 10.0 109.334 175.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -144.68 159.91 42.06 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.186 1.394 . . . . 10.0 110.672 -172.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -141.13 106.27 4.99 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 108.831 -0.803 . . . . 10.0 108.831 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.8 t -131.37 80.88 1.95 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.917 1.287 . . . . 10.0 108.851 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.0 t70 64.79 -44.75 0.32 Allowed 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 127.738 2.415 . . . . 10.0 112.607 -166.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -99.12 153.76 18.65 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.736 2.014 . . . . 10.0 109.674 167.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 57.7 tp -85.32 129.31 34.84 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.42 1.488 . . . . 10.0 109.211 169.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.88 137.23 53.72 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.515 0.726 . . . . 10.0 110.457 174.652 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.2 p -136.2 132.47 49.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 C-N-CA 125.066 1.346 . . . . 10.0 108.284 172.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -137.3 134.58 36.24 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 124.759 1.224 . . . . 10.0 108.936 -169.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 42.5 mt -132.18 130.44 60.69 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.112 0 N-CA-C 108.172 -1.047 . . . . 10.0 108.172 -171.188 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.4 m -131.9 130.31 41.45 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 123.664 0.786 . . . . 10.0 109.601 168.591 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.22 142.01 50.11 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.128 0.971 . . . . 10.0 110.415 176.144 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -139.51 147.46 41.3 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.018 1.327 . . . . 10.0 110.428 176.561 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.6 tp -124.47 105.35 9.33 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 126.18 1.792 . . . . 10.0 110.568 -168.294 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -91.47 102.8 15.47 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 108.512 -0.922 . . . . 10.0 108.512 177.33 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.3 mt -82.3 151.74 26.61 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 125.676 1.59 . . . . 10.0 111.813 173.38 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -62.26 133.55 55.3 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 108.42 -0.956 . . . . 10.0 108.42 166.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 pm0 -64.89 -5.85 6.98 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 114.93 1.456 . . . . 10.0 114.93 -175.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.9 tt -92.2 -7.23 48.88 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.407 1.083 . . . . 10.0 113.001 169.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.6 t -105.35 167.89 9.44 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.705 1.139 . . . . 10.0 112.7 179.105 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -157.58 94.92 1.4 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.921 1.688 . . . . 10.0 109.887 -169.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.93 -173.46 2.98 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.081 1.352 . . . . 10.0 112.42 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -85.3 144.82 41.4 Favored Pre-proline 0 CA--C 1.549 0.905 0 O-C-N 120.631 -1.293 . . . . 10.0 112.002 -168.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -73.64 45.74 1.11 Allowed 'Trans proline' 0 CA--C 1.547 1.161 1 C-N-CA 126.276 4.651 . . . . 10.0 114.803 -169.295 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.16 9.21 0.02 OUTLIER Glycine 0 CA--C 1.538 1.508 0 C-N-CA 127.097 2.284 . . . . 10.0 114.328 176.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 8.4 tt -66.39 -19.24 25.37 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 CA-C-N 119.014 1.407 . . . . 10.0 114.393 -169.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.3 t -83.65 -50.63 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 124.386 1.074 . . . . 10.0 110.053 171.217 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -55.52 -41.18 72.79 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.81 1.244 . . . . 10.0 111.659 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -64.04 -29.84 70.95 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.191 0.811 . . . . 10.0 113.191 174.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.24 -36.28 74.39 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 118.453 0.57 . . . . 10.0 111.859 172.406 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.6 t -70.01 -44.46 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-O 119.053 -0.499 . . . . 10.0 110.34 176.523 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -58.7 -39.2 80.08 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 118.745 0.702 . . . . 10.0 111.365 169.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.75 -43.54 98.53 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 119.095 0.861 . . . . 10.0 110.824 175.13 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.98 -42.9 91.11 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.394 0.997 . . . . 10.0 112.655 170.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -65.03 -43.3 92.85 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 118.99 0.814 . . . . 10.0 112.887 176.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -72.54 -29.95 64.01 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 119.438 1.017 . . . . 10.0 112.811 178.132 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.9 m -66.83 -44.71 80.39 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-O 118.145 -0.931 . . . . 10.0 110.343 168.016 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 32.2 tp -62.31 -40.22 95.58 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 119.628 1.104 . . . . 10.0 112.803 175.383 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -58.63 -36.4 74.02 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 125.289 1.435 . . . . 10.0 110.754 176.419 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.0 m -82.52 -35.69 27.07 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.67 1.188 . . . . 10.0 112.584 175.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -58.9 -39.28 81.01 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 125.579 1.552 . . . . 10.0 113.092 -174.556 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 N--CA 1.468 0.465 0 N-CA-C 112.891 0.7 . . . . 10.0 112.891 178.25 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 90.7 mt . . . . . 0 CA--C 1.536 0.432 0 CA-C-O 121.275 0.56 . . . . 10.0 111.425 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.8 p -124.78 178.57 5.4 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 126.969 2.108 . . . . 10.0 110.18 178.389 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -49.42 -36.24 21.63 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.817 0.847 . . . . 10.0 112.465 170.488 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.2 -41.83 68.33 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-N 118.309 0.504 . . . . 10.0 113.023 177.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -70.06 -39.23 75.79 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 117.891 0.845 . . . . 10.0 111.152 177.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.9 mp -64.09 -38.76 92.23 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 113.574 0.953 . . . . 10.0 113.574 169.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -63.92 -46.02 86.67 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.221 0.918 . . . . 10.0 111.389 170.276 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -62.21 -39.36 92.52 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 119.147 0.885 . . . . 10.0 113.093 175.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 52.3 mt -64.86 -44.52 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-N 119.542 1.065 . . . . 10.0 110.088 172.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.7 m -63.25 -41.07 99.01 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.066 0.546 . . . . 10.0 111.474 179.085 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.5 t -63.49 -43.98 95.68 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.409 1.883 . . . . 10.0 112.098 172.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -61.22 -42.46 98.64 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 124.07 0.948 . . . . 10.0 111.755 175.169 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.8 mt -67.86 -47.47 68.83 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.355 0.662 . . . . 10.0 111.575 176.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -56.02 -49.08 74.68 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.209 0.604 . . . . 10.0 111.487 174.094 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -60.69 -41.45 95.19 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 122.692 0.397 . . . . 10.0 111.706 176.205 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.8 m -61.09 -46.28 91.28 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.459 0.704 . . . . 10.0 111.164 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.442 HG23 ' HB1' ' A' ' 74' ' ' ALA . 64.0 mt -63.94 -44.47 97.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 CA-C-N 118.249 0.477 . . . . 10.0 110.502 174.729 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.7 t -58.92 -51.01 71.85 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.279 0.632 . . . . 10.0 112.221 178.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -59.56 -38.76 81.97 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 113.344 0.868 . . . . 10.0 113.344 171.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -64.17 -45.68 87.33 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 119.677 1.126 . . . . 10.0 110.944 178.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 82.3 mt -62.03 -52.75 56.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 123.627 0.771 . . . . 10.0 109.533 176.092 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.3 mp -63.76 -9.36 14.05 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 114.636 1.347 . . . . 10.0 114.636 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -115.45 4.23 14.26 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.773 1.229 . . . . 10.0 112.49 177.22 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.2 ttt-85 -123.39 -15.57 7.11 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.903 1.281 . . . . 10.0 113.62 170.12 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.2 t -142.02 149.73 19.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 127.706 2.403 . . . . 10.0 107.616 175.047 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.8 t -97.97 136.2 38.6 Favored 'General case' 0 N--CA 1.464 0.261 0 O-C-N 121.011 -1.056 . . . . 10.0 112.226 -173.064 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.71 -24.65 3.55 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.711 1.604 . . . . 10.0 114.468 177.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -61.84 -24.74 67.09 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 115.183 1.549 . . . . 10.0 115.183 172.264 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.9 pm0 -110.12 -16.54 13.77 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.121 1.156 . . . . 10.0 114.121 175.358 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 37.0 mm -72.88 114.45 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 123.81 0.844 . . . . 10.0 108.911 169.691 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 19.7 t -72.5 -49.96 38.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 109.01 -0.737 . . . . 10.0 109.01 168.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -163.86 177.0 8.94 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.454 0.702 . . . . 10.0 112.492 172.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.0 pt -137.11 143.03 35.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 C-N-CA 125.525 1.53 . . . . 10.0 109.886 170.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -127.54 119.5 26.16 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 123.774 0.83 . . . . 10.0 109.193 176.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.6 mt -131.16 126.34 58.96 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.129 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 -173.26 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 90.3 m -119.76 120.39 36.4 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 125.63 1.572 . . . . 10.0 108.241 176.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.1 t -115.51 126.49 73.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 N-CA-C 107.247 -1.39 . . . . 10.0 107.247 173.027 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 88.3 mt -117.73 135.62 53.91 Favored 'General case' 0 C--N 1.334 -0.096 0 C-N-CA 124.354 1.062 . . . . 10.0 108.674 178.163 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.2 p -139.79 132.84 35.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 C-N-CA 123.856 0.862 . . . . 10.0 110.447 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -144.8 159.95 42.04 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.716 1.606 . . . . 10.0 110.973 -173.025 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -137.41 99.77 4.05 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.457 0.703 . . . . 10.0 109.205 174.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.9 p -131.27 80.57 1.94 Allowed 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 108.05 -1.093 . . . . 10.0 108.05 -178.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.0 t70 62.73 -41.17 0.17 Allowed 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 127.31 2.244 . . . . 10.0 113.063 -167.102 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -98.31 144.42 27.74 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.972 2.509 . . . . 10.0 109.181 168.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.8 tp -85.25 118.91 25.08 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 105.918 -1.882 . . . . 10.0 105.918 167.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.1 tttp -131.14 132.8 45.04 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 121.155 0.503 . . . . 10.0 110.441 -170.479 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.3 p -136.26 141.94 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 C-N-CA 124.981 1.312 . . . . 10.0 109.33 -177.015 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -137.02 145.58 44.24 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.374 1.07 . . . . 10.0 110.533 175.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.3 mt -132.41 121.79 46.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 125.419 1.488 . . . . 10.0 108.838 -172.276 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.6 t -129.2 127.92 42.28 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 124.002 0.921 . . . . 10.0 109.433 174.429 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.24 139.46 49.66 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.334 1.054 . . . . 10.0 110.693 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -128.02 143.44 51.08 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 125.962 1.705 . . . . 10.0 109.441 176.375 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 68.2 tp -128.07 104.3 7.7 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.943 1.697 . . . . 10.0 111.632 -166.716 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -97.63 104.53 16.57 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 121.311 0.577 . . . . 10.0 110.842 -178.023 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -82.37 152.15 26.34 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 125.187 1.395 . . . . 10.0 111.276 168.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -56.63 147.4 22.61 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 115.056 -0.975 . . . . 10.0 111.845 168.296 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.89 6.85 0.2 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.82 2.048 . . . . 10.0 114.116 -176.259 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.33 7.81 9.06 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.309 2.243 . . . . 10.0 112.427 175.252 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.7 m -132.03 156.39 46.34 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.746 1.618 . . . . 10.0 112.45 -174.336 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -154.99 94.92 1.69 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.542 1.137 . . . . 10.0 109.628 -171.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.2 169.6 15.79 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.869 1.268 . . . . 10.0 112.727 175.277 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -85.32 140.43 36.46 Favored Pre-proline 0 CA--C 1.548 0.9 0 O-C-N 120.717 -1.239 . . . . 10.0 111.822 -169.166 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -72.25 69.14 3.3 Favored 'Trans proline' 0 C--N 1.356 0.928 1 C-N-CA 125.482 4.122 . . . . 10.0 112.152 -176.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.03 -15.95 0.03 OUTLIER Glycine 0 CA--C 1.534 1.235 0 C-N-CA 126.321 1.915 . . . . 10.0 113.952 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.1 mt -61.35 -38.64 80.38 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-N 119.751 1.775 . . . . 10.0 112.828 -177.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 86.8 t -66.85 -50.48 64.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 123.79 0.836 . . . . 10.0 110.174 175.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.42 -45.2 72.93 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.225 1.81 . . . . 10.0 110.964 176.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -63.87 -39.61 94.61 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.936 0.895 . . . . 10.0 111.958 172.217 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.442 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -66.38 -43.35 86.14 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.873 1.215 . . . . 10.0 111.346 179.612 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 48.3 t -66.71 -45.96 86.88 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 125.497 1.519 . . . . 10.0 110.804 177.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -58.79 -40.48 84.14 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.161 1.384 . . . . 10.0 112.653 170.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.97 -39.36 93.37 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.038 -1.039 . . . . 10.0 111.849 174.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.28 -43.07 98.98 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 118.966 -0.54 . . . . 10.0 111.906 170.353 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -63.02 -43.18 99.43 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.26 0.936 . . . . 10.0 112.767 175.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 76.9 mtt-85 -63.68 -40.94 98.05 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.109 0.868 . . . . 10.0 111.309 175.102 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.0 m -63.17 -36.51 83.87 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 123.586 0.754 . . . . 10.0 111.5 175.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.3 tp -70.51 -45.31 65.84 Favored 'General case' 0 C--N 1.34 0.189 0 C-N-CA 123.449 0.7 . . . . 10.0 112.539 174.615 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -59.01 -41.19 87.11 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.315 0.961 . . . . 10.0 110.835 178.168 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . 0.311 26.6 m -74.24 -17.79 60.83 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 115.637 1.717 . . . . 10.0 115.637 173.146 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -65.64 -41.11 93.0 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.238 0.926 . . . . 10.0 108.98 165.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 CA--C 1.537 0.458 0 CA-C-O 116.999 -1.476 . . . . 10.0 114.506 174.832 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 74.4 mt . . . . . 0 CA--C 1.533 0.309 0 CA-C-O 121.134 0.492 . . . . 10.0 109.874 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.8 t -130.99 173.87 10.57 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 126.238 1.815 . . . . 10.0 106.765 171.308 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -43.3 -35.88 1.64 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 128.186 2.594 . . . . 10.0 113.624 -173.089 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.28 -57.65 11.18 Favored Glycine 0 CA--C 1.533 1.203 0 CA-C-N 119.041 0.837 . . . . 10.0 114.091 173.394 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.85 -38.9 89.97 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.204 1.402 . . . . 10.0 111.267 178.234 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.0 mt -69.44 -40.76 77.01 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.388 1.075 . . . . 10.0 111.875 176.633 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -59.88 -45.76 91.48 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 119.122 0.874 . . . . 10.0 111.013 169.771 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -62.7 -37.83 88.02 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.048 0.84 . . . . 10.0 112.568 176.196 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.3 mt -64.87 -39.23 84.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 O-C-N 120.549 -1.345 . . . . 10.0 110.78 172.015 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.4 p -59.53 -40.83 88.48 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.31 -0.869 . . . . 10.0 112.08 170.483 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.44 -43.87 97.79 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 125.257 1.423 . . . . 10.0 110.981 174.243 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -58.96 -42.62 90.32 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.674 0.79 . . . . 10.0 111.812 174.583 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 93.6 mt -67.24 -47.66 70.11 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 118.551 0.614 . . . . 10.0 112.219 176.46 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -60.88 -44.16 97.46 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.343 0.657 . . . . 10.0 111.826 178.108 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -63.91 -40.22 95.98 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 118.353 -0.832 . . . . 10.0 111.558 172.121 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.0 m -60.94 -46.67 89.78 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.886 1.221 . . . . 10.0 111.764 -179.402 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.457 HG23 ' HB1' ' A' ' 74' ' ' ALA . 29.6 mt -64.31 -44.29 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-N 118.435 0.561 . . . . 10.0 110.44 174.235 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.0 m -59.36 -50.56 73.51 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.534 0.734 . . . . 10.0 112.055 -179.123 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -58.79 -38.78 79.31 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 114.812 1.412 . . . . 10.0 114.812 170.86 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.516 ' CE1' ' HD2' ' A' ' 29' ' ' ARG . 24.9 t80 -65.25 -45.83 82.99 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.385 0.993 . . . . 10.0 110.431 176.649 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.9 mt -59.94 -51.74 69.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 124.199 1.0 . . . . 10.0 109.724 176.631 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.08 -8.96 13.6 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 114.554 1.316 . . . . 10.0 114.554 177.951 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.5 mtmm -112.9 8.17 18.54 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.869 1.268 . . . . 10.0 112.736 171.639 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.516 ' HD2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -117.14 -34.79 4.25 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.854 1.662 . . . . 10.0 113.579 170.306 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.2 p -145.84 146.21 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 125.266 1.427 . . . . 10.0 110.045 -175.376 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.8 t -81.15 136.49 35.89 Favored 'General case' 0 N--CA 1.462 0.146 0 O-C-N 121.517 -0.739 . . . . 10.0 111.017 -179.56 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.95 -24.84 3.96 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.788 1.235 . . . . 10.0 112.917 168.774 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -64.52 -15.22 60.54 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 114.771 1.397 . . . . 10.0 114.771 171.251 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -99.78 -12.99 19.45 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.321 1.848 . . . . 10.0 111.431 175.826 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.5 mm -98.08 127.42 50.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 C-N-CA 126.0 1.72 . . . . 10.0 109.462 -173.149 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.5 t -75.34 -52.45 18.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 C-N-CA 123.824 0.85 . . . . 10.0 108.763 168.904 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -165.51 177.15 7.61 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.258 1.023 . . . . 10.0 111.741 173.408 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 21.4 pt -135.84 143.08 37.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 125.039 1.336 . . . . 10.0 111.254 171.885 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -112.44 119.98 40.07 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 108.103 -1.073 . . . . 10.0 108.103 168.652 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.0 mt -131.11 113.23 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 108.458 -0.942 . . . . 10.0 108.458 173.899 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.5 m -119.75 117.75 29.05 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 124.923 1.289 . . . . 10.0 108.503 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.7 m -115.69 122.13 68.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 C-N-CA 125.917 1.687 . . . . 10.0 109.407 -176.596 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -117.73 139.34 51.18 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 125.089 1.356 . . . . 10.0 109.148 -177.831 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.3 p -131.95 140.44 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 123.47 0.708 . . . . 10.0 109.537 176.854 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -145.99 152.79 39.94 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.678 1.191 . . . . 10.0 110.235 -169.07 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -145.16 99.57 3.34 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.215 0.606 . . . . 10.0 109.775 174.804 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 31.0 m -131.18 92.61 3.22 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.883 1.273 . . . . 10.0 107.62 179.818 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.3 t70 63.05 -27.28 0.07 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 127.263 2.225 . . . . 10.0 114.551 -169.226 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.8 159.95 41.11 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 127.702 2.401 . . . . 10.0 110.389 172.21 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 36.3 tp -85.0 129.36 34.81 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.736 2.014 . . . . 10.0 109.894 -178.241 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.6 ttpp -131.03 147.57 52.64 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.525 0.678 . . . . 10.0 110.79 170.821 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.2 p -136.1 135.84 49.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 124.672 1.189 . . . . 10.0 107.998 169.811 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -122.59 138.75 54.49 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 125.468 1.507 . . . . 10.0 108.349 -177.99 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.6 mt -131.61 110.55 17.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 N-CA-C 107.167 -1.42 . . . . 10.0 107.167 -172.115 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.0 m -109.47 122.14 46.73 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 108.017 -1.105 . . . . 10.0 108.017 173.227 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.19 141.83 50.11 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.405 0.682 . . . . 10.0 110.252 175.048 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.69 145.87 45.23 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 125.91 1.684 . . . . 10.0 109.564 177.158 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 23.5 tp -127.96 104.17 7.65 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 125.424 1.49 . . . . 10.0 109.59 -169.132 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -94.95 102.61 14.45 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 108.07 -1.085 . . . . 10.0 108.07 179.174 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.1 mt -83.63 151.82 25.12 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 126.722 2.009 . . . . 10.0 111.321 174.589 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -68.16 142.29 55.78 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 111.636 0.236 . . . . 10.0 111.636 171.358 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -71.79 34.69 0.06 Allowed 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 129.529 3.132 . . . . 10.0 113.124 -174.944 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.1 tt -162.2 -23.72 0.05 OUTLIER 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 128.923 2.889 . . . . 10.0 111.761 -169.943 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 85.9 p -65.93 165.9 12.31 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.805 1.642 . . . . 10.0 113.613 169.938 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -146.17 94.89 2.53 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.88 1.672 . . . . 10.0 108.837 179.514 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -112.65 177.08 4.76 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.636 1.574 . . . . 10.0 111.61 175.71 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -85.54 146.06 43.42 Favored Pre-proline 0 CA--C 1.547 0.861 0 N-CA-C 113.705 1.002 . . . . 10.0 113.705 -167.643 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -74.8 44.03 1.05 Allowed 'Trans proline' 0 CA--C 1.548 1.189 1 C-N-CA 126.079 4.52 . . . . 10.0 114.408 -170.79 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.07 16.69 0.03 OUTLIER Glycine 0 CA--C 1.538 1.504 0 C-N-CA 126.74 2.114 . . . . 10.0 113.901 174.52 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 8.0 tt -66.05 -29.05 45.57 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 N-CA-C 114.819 1.415 . . . . 10.0 114.819 -167.924 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.6 p -86.18 -35.78 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 123.831 0.852 . . . . 10.0 112.178 169.938 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.89 -38.73 70.58 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.746 1.218 . . . . 10.0 111.182 174.967 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -63.85 -39.03 93.24 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 118.655 -0.688 . . . . 10.0 111.988 169.88 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.457 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -65.76 -42.62 90.66 Favored 'General case' 0 C--N 1.343 0.296 0 CA-C-N 119.711 1.141 . . . . 10.0 111.793 178.13 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.403 HG12 ' CE2' ' A' ' 79' ' ' TYR . 2.3 t -68.25 -47.46 77.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-O 118.611 -0.709 . . . . 10.0 110.415 178.168 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -59.55 -37.25 77.92 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.769 1.168 . . . . 10.0 112.847 172.518 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.89 -41.71 99.52 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.924 1.238 . . . . 10.0 111.519 174.123 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.65 97.07 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 118.582 -0.723 . . . . 10.0 111.884 169.766 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.403 ' CE2' HG12 ' A' ' 75' ' ' VAL . 44.1 m-85 -65.04 -43.28 92.88 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 117.782 -1.104 . . . . 10.0 112.866 176.173 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.6 -41.45 96.2 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 120.135 1.334 . . . . 10.0 110.846 174.935 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.8 t -63.13 -48.21 79.45 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-O 118.695 -0.669 . . . . 10.0 110.442 178.306 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -61.21 -44.01 97.96 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.429 1.091 . . . . 10.0 112.112 176.179 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -58.92 -41.03 86.32 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.495 1.518 . . . . 10.0 112.023 177.394 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 51.9 m -79.08 -26.75 42.98 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.911 1.078 . . . . 10.0 113.911 170.852 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -65.64 -42.32 91.58 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 120.703 -1.248 . . . . 10.0 112.317 -176.025 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 N--CA 1.472 0.674 0 CA-C-N 119.528 1.058 . . . . 10.0 111.65 178.783 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 76.6 mt . . . . . 0 CA--C 1.533 0.318 0 CA-C-O 121.223 0.535 . . . . 10.0 111.03 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.9 t -138.82 -168.15 2.36 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.43 1.492 . . . . 10.0 109.883 171.888 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -47.19 -42.02 19.16 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.85 1.66 . . . . 10.0 112.854 -176.794 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.38 -48.52 68.2 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 123.736 0.684 . . . . 10.0 113.599 179.084 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.29 -40.76 94.27 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 118.481 1.14 . . . . 10.0 111.049 178.965 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mp -65.14 -43.5 91.69 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.732 0.813 . . . . 10.0 112.377 174.854 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -64.16 -37.1 86.24 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.11 0.868 . . . . 10.0 112.313 172.07 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -65.75 -44.05 87.08 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 118.985 0.811 . . . . 10.0 111.965 174.118 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.6 mt -64.92 -48.11 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-N 119.158 0.89 . . . . 10.0 110.201 175.016 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.8 m -59.37 -38.15 79.73 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.944 0.793 . . . . 10.0 112.226 175.732 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.1 m -65.64 -43.55 89.11 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.916 0.886 . . . . 10.0 112.164 172.831 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -58.65 -41.39 85.96 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.488 0.715 . . . . 10.0 111.794 173.993 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.5 mt -65.77 -48.36 72.08 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.41 0.684 . . . . 10.0 111.829 175.003 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -57.49 -44.77 85.22 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.222 0.609 . . . . 10.0 112.027 175.584 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -64.47 -41.23 96.62 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.452 0.701 . . . . 10.0 111.757 174.59 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.8 m -61.19 -47.2 87.25 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.654 0.782 . . . . 10.0 111.279 179.212 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.417 HG23 ' HB1' ' A' ' 74' ' ' ALA . 30.5 mt -65.16 -40.62 89.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-O 119.338 -0.363 . . . . 10.0 110.561 175.177 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.5 m -59.24 -51.03 71.71 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.355 0.662 . . . . 10.0 111.853 177.493 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.43 -38.83 78.25 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 115.01 1.485 . . . . 10.0 115.01 169.487 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.454 ' CD1' ' HA ' ' A' ' 74' ' ' ALA . 27.7 t80 -66.85 -44.54 80.77 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 119.534 1.061 . . . . 10.0 110.547 179.71 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 53.6 mt -60.07 -53.14 52.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 124.625 1.17 . . . . 10.0 110.039 173.969 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.05 -14.36 35.27 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.15 1.167 . . . . 10.0 114.15 -179.645 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -114.21 11.09 17.4 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.813 1.245 . . . . 10.0 112.513 175.732 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.8 ttm-85 -129.33 -24.52 2.81 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 115.079 1.511 . . . . 10.0 115.079 173.775 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.8 p -150.03 148.17 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.227 1.411 . . . . 10.0 109.333 -179.017 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 40.3 t -87.37 136.25 33.01 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 116.151 1.908 . . . . 10.0 116.151 -166.707 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.84 -24.48 3.56 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.107 1.363 . . . . 10.0 113.069 166.205 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -70.91 -22.13 62.29 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.398 1.258 . . . . 10.0 114.398 173.179 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -111.38 -29.47 7.79 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.096 1.358 . . . . 10.0 111.697 179.347 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.1 mm -71.89 113.93 9.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 C-N-CA 124.77 1.228 . . . . 10.0 109.037 168.893 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 25.2 t -69.21 -50.71 50.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 C-N-CA 124.093 0.957 . . . . 10.0 109.592 168.689 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -164.05 177.11 8.71 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.474 0.71 . . . . 10.0 112.049 176.764 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 35.0 pt -137.35 143.27 34.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 125.021 1.329 . . . . 10.0 112.255 175.902 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -115.07 107.27 15.12 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 123.985 0.914 . . . . 10.0 109.022 168.375 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.5 mm -103.3 124.96 57.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 N-CA-C 107.208 -1.404 . . . . 10.0 107.208 169.023 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.9 m -116.42 117.67 30.58 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 108.367 -0.975 . . . . 10.0 108.367 175.178 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -115.84 118.41 58.7 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 C-N-CA 126.96 2.104 . . . . 10.0 109.257 -176.283 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -114.55 138.96 49.99 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 124.758 1.223 . . . . 10.0 108.598 178.54 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.7 p -139.5 131.44 34.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 C-N-CA 124.585 1.154 . . . . 10.0 108.67 178.882 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.41 159.97 43.1 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.925 1.29 . . . . 10.0 110.926 -170.36 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -144.38 99.64 3.4 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.733 0.778 . . . . 10.0 109.298 179.383 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -131.27 80.69 1.95 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.705 1.602 . . . . 10.0 108.675 -176.434 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.3 t70 64.71 -44.04 0.31 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 127.245 2.218 . . . . 10.0 112.054 -167.386 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -98.18 155.02 17.36 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.647 1.579 . . . . 10.0 110.219 166.867 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.1 tp -85.23 129.26 34.84 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 106.161 -1.792 . . . . 10.0 106.161 165.829 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -129.38 137.42 50.93 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.403 0.681 . . . . 10.0 109.87 179.796 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.4 t -136.1 130.75 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 N-CA-C 107.619 -1.252 . . . . 10.0 107.619 174.492 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -137.02 131.91 33.5 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 124.352 1.061 . . . . 10.0 108.637 -171.725 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.4 mt -132.09 128.11 58.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 C-N-CA 123.699 0.8 . . . . 10.0 109.073 -170.218 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.8 m -127.65 140.12 52.29 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 125.521 1.528 . . . . 10.0 108.909 176.146 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.34 149.34 52.59 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.295 0.638 . . . . 10.0 112.28 179.458 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.08 141.35 48.16 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.383 1.473 . . . . 10.0 109.129 168.546 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.2 tp -128.01 104.03 7.56 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 125.82 1.648 . . . . 10.0 108.267 -169.502 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -95.17 105.89 17.86 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 -172.475 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -82.27 151.92 26.58 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 125.057 1.343 . . . . 10.0 111.146 171.572 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.424 ' C ' ' H ' ' A' ' 63' ' ' LEU . 24.9 t0 -56.97 147.28 24.33 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.595 -0.73 . . . . 10.0 111.001 167.706 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -66.46 24.25 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 126.436 1.895 . . . . 10.0 113.899 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.424 ' H ' ' C ' ' A' ' 61' ' ' ASP . 0.5 OUTLIER -149.84 14.01 0.82 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 128.603 2.761 . . . . 10.0 111.492 -173.633 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.0 m -153.03 156.43 38.78 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 120.027 -1.671 . . . . 10.0 112.379 175.397 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -145.45 94.79 2.56 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.811 1.245 . . . . 10.0 109.55 -168.121 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.97 167.12 4.03 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.812 0.845 . . . . 10.0 111.926 168.913 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -85.32 144.21 40.38 Favored Pre-proline 0 CA--C 1.546 0.809 0 O-C-N 121.035 -1.041 . . . . 10.0 111.976 -168.802 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -72.49 66.26 3.7 Favored 'Trans proline' 0 C--N 1.356 0.938 1 C-N-CA 125.772 4.315 . . . . 10.0 112.458 -173.45 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 177.35 -20.18 0.04 OUTLIER Glycine 0 CA--C 1.533 1.2 0 C-N-CA 126.396 1.951 . . . . 10.0 113.486 179.912 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 26.6 mt -57.84 -35.98 53.66 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-N 119.695 1.747 . . . . 10.0 112.313 -178.285 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 62.1 t -64.92 -57.95 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.203 1.001 . . . . 10.0 110.0 173.942 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -53.31 -45.33 68.94 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 126.358 1.863 . . . . 10.0 110.9 -178.47 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -63.86 -34.39 77.83 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.983 0.913 . . . . 10.0 111.644 175.139 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.454 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . . . -70.04 -43.0 72.16 Favored 'General case' 0 C--N 1.342 0.261 0 CA-C-N 119.529 1.059 . . . . 10.0 111.685 178.837 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.422 HG12 ' CE2' ' A' ' 79' ' ' TYR . 2.1 t -72.0 -40.39 67.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-O 119.514 -0.279 . . . . 10.0 111.0 177.699 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -58.85 -37.17 75.88 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.636 1.575 . . . . 10.0 112.319 171.685 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.26 -42.85 99.19 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.192 -0.943 . . . . 10.0 111.911 170.184 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.01 -42.35 99.81 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.005 0.82 . . . . 10.0 112.554 172.232 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.422 ' CE2' HG12 ' A' ' 75' ' ' VAL . 42.7 m-85 -62.39 -43.12 99.58 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.282 0.946 . . . . 10.0 111.851 177.894 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 28.9 mtt85 -71.12 -39.34 72.09 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 119.206 0.912 . . . . 10.0 112.649 173.845 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.3 t -65.86 -24.57 66.9 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 118.036 -0.983 . . . . 10.0 113.056 175.892 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 45.5 tp -77.95 -47.13 19.31 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 124.094 0.958 . . . . 10.0 111.347 172.017 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -66.26 -41.17 90.29 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 118.218 0.463 . . . . 10.0 111.071 179.737 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.5 t -69.68 -18.05 63.53 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 113.656 0.984 . . . . 10.0 113.656 173.66 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -81.33 -42.42 20.58 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.444 1.02 . . . . 10.0 111.297 168.387 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.5 mt . . . . . 0 N--CA 1.469 0.479 0 CA-C-O 118.529 -0.748 . . . . 10.0 112.62 175.697 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.2 mt . . . . . 0 CA--C 1.532 0.266 0 CA-C-O 121.69 0.757 . . . . 10.0 110.292 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.3 t -147.44 -178.25 6.14 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.87 2.068 . . . . 10.0 107.906 -172.252 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -63.52 29.6 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.955 1 C-N-CA 131.853 4.061 . . . . 10.0 114.327 -177.346 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.8 -61.22 0.02 OUTLIER Glycine 0 CA--C 1.528 0.859 0 C-N-CA 128.084 2.754 . . . . 10.0 109.299 172.577 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.09 -39.82 83.36 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 118.128 0.964 . . . . 10.0 112.545 176.545 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.7 mt -65.32 -39.91 93.04 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.489 -0.757 . . . . 10.0 112.181 177.662 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -70.12 -42.12 73.04 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.215 0.606 . . . . 10.0 111.405 175.991 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -57.14 -44.45 83.41 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.5 0.72 . . . . 10.0 110.926 172.792 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 75.1 mt -64.78 -44.03 96.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 124.244 1.018 . . . . 10.0 111.202 176.394 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.8 t -58.72 -42.98 89.97 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.387 0.54 . . . . 10.0 111.191 174.132 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.6 p -61.87 -42.85 99.56 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.957 0.903 . . . . 10.0 112.536 174.717 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -61.69 -42.59 99.15 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 124.765 1.226 . . . . 10.0 111.421 178.197 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.5 mt -70.19 -45.13 67.28 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 122.842 0.457 . . . . 10.0 111.584 178.07 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -59.75 -48.42 81.73 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.49 0.587 . . . . 10.0 111.593 175.719 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -62.39 -37.41 85.67 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 118.634 -0.698 . . . . 10.0 111.852 175.117 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.6 m -61.04 -44.11 97.88 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.622 1.101 . . . . 10.0 111.293 178.283 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.7 mt -65.55 -45.52 92.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-N 118.086 0.403 . . . . 10.0 110.848 174.461 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.1 t -57.4 -50.3 73.44 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 122.87 0.468 . . . . 10.0 112.173 177.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.51 -38.67 81.55 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 114.8 1.407 . . . . 10.0 114.8 171.913 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -64.15 -45.69 87.35 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 119.91 1.232 . . . . 10.0 110.973 175.098 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.8 mt -61.15 -53.0 55.03 Favored 'Isoleucine or valine' 0 C--N 1.342 0.25 0 C-N-CA 124.13 0.972 . . . . 10.0 109.848 177.986 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.65 -20.74 65.1 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.872 1.064 . . . . 10.0 113.872 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.6 mtmm -95.91 -0.06 51.34 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.078 0.951 . . . . 10.0 113.466 173.345 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -125.23 -27.88 3.45 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.475 1.287 . . . . 10.0 114.475 -178.162 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.7 p -144.43 153.64 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 125.903 1.681 . . . . 10.0 110.962 170.543 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 45.3 t -76.59 122.69 24.98 Favored 'General case' 0 N--CA 1.463 0.209 0 O-C-N 121.218 -0.926 . . . . 10.0 111.782 178.069 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.46 -24.78 5.4 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.215 1.406 . . . . 10.0 113.18 168.239 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.7 -12.67 61.7 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.856 1.058 . . . . 10.0 113.856 174.027 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -94.82 -10.84 30.18 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.1 1.36 . . . . 10.0 112.035 169.8 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 56.4 mt -94.36 125.85 46.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 125.39 1.476 . . . . 10.0 108.402 -177.534 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.1 t -69.0 -50.99 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 C-N-CA 124.49 1.116 . . . . 10.0 109.118 169.627 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -162.98 174.73 11.95 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.16 0.8 . . . . 10.0 113.16 170.588 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.4 pt -132.26 143.15 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 C-N-CA 125.833 1.653 . . . . 10.0 110.717 170.56 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -121.9 127.0 49.94 Favored 'General case' 0 N--CA 1.462 0.141 0 N-CA-C 108.139 -1.06 . . . . 10.0 108.139 169.708 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 59.7 mt -131.18 126.09 58.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 108.057 -1.09 . . . . 10.0 108.057 -178.534 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 52.9 m -119.67 117.87 29.42 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 125.111 1.364 . . . . 10.0 108.153 -179.633 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.6 t -115.56 122.04 68.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 N-CA-C 107.204 -1.406 . . . . 10.0 107.204 171.787 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.8 mt -117.81 139.26 51.33 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 125.207 1.403 . . . . 10.0 109.062 175.817 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.2 p -135.53 138.37 48.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 C-N-CA 124.274 1.029 . . . . 10.0 109.639 179.664 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -144.48 159.89 42.0 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.597 1.159 . . . . 10.0 110.935 179.41 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -137.05 105.37 5.73 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 106.983 -1.488 . . . . 10.0 106.983 173.861 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.4 t -131.14 84.63 2.2 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.223 1.409 . . . . 10.0 107.547 -174.568 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.2 t70 66.74 -31.43 0.16 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 127.379 2.272 . . . . 10.0 113.121 -166.802 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.44 160.31 40.28 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 127.737 2.415 . . . . 10.0 111.001 169.858 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 53.9 tp -84.82 129.25 34.84 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.828 2.051 . . . . 10.0 110.178 -174.164 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -133.4 147.6 51.77 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.96 1.304 . . . . 10.0 110.332 178.652 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 89.5 t -135.91 142.25 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 C-N-CA 125.625 1.57 . . . . 10.0 108.043 176.413 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -130.3 134.93 47.57 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 125.335 1.454 . . . . 10.0 107.851 176.757 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.0 mt -132.06 131.93 61.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 C-N-CA 123.149 0.58 . . . . 10.0 109.832 -179.636 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.7 m -131.75 137.83 48.36 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.639 1.176 . . . . 10.0 109.552 168.654 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.39 144.44 51.21 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.695 0.798 . . . . 10.0 110.975 175.918 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -129.23 138.71 51.84 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 126.351 1.86 . . . . 10.0 109.373 -177.063 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -123.07 121.28 35.65 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 126.158 1.783 . . . . 10.0 108.245 -173.903 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -114.08 102.76 10.47 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 108.197 -1.038 . . . . 10.0 108.197 174.359 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -82.88 151.97 25.78 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 125.508 1.523 . . . . 10.0 111.232 174.562 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -62.32 147.46 48.15 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.935 168.293 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -64.97 30.8 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 128.61 2.764 . . . . 10.0 113.401 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.1 tt -148.18 -8.37 0.4 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 128.119 2.568 . . . . 10.0 112.916 -169.316 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.03 154.85 47.0 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.643 1.11 . . . . 10.0 112.374 -178.14 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -136.47 94.69 3.04 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.942 1.697 . . . . 10.0 108.364 -174.44 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.68 -175.23 0.65 Allowed 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 125.813 1.645 . . . . 10.0 112.728 170.4 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.04 144.9 42.19 Favored Pre-proline 0 CA--C 1.546 0.809 0 O-C-N 120.64 -1.287 . . . . 10.0 109.693 -169.882 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -73.17 42.19 0.62 Allowed 'Trans proline' 0 CA--C 1.548 1.188 1 C-N-CA 125.658 4.239 . . . . 10.0 113.802 -176.822 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.1 13.9 0.02 OUTLIER Glycine 0 CA--C 1.539 1.546 0 C-N-CA 127.925 2.679 . . . . 10.0 113.552 176.328 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.7 tt -59.99 -36.54 67.79 Favored 'Isoleucine or valine' 0 C--N 1.349 0.57 0 CA-C-N 119.175 1.487 . . . . 10.0 113.555 -168.962 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.422 ' O ' HG23 ' A' ' 75' ' ' VAL . 7.9 p -86.02 -39.41 13.6 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.277 0 C-N-CA 124.46 1.104 . . . . 10.0 111.266 178.752 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.47 -47.01 73.45 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.872 1.269 . . . . 10.0 110.139 174.405 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.06 -36.88 85.46 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 118.187 -0.911 . . . . 10.0 112.575 171.093 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.46 -44.15 91.98 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 120.359 1.436 . . . . 10.0 112.05 176.777 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.437 HG12 ' CE2' ' A' ' 79' ' ' TYR . 2.1 t -72.19 -41.14 66.76 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 O-C-N 121.962 -0.461 . . . . 10.0 110.94 178.927 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -58.83 -40.28 83.73 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.262 1.025 . . . . 10.0 110.952 171.408 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.07 -37.35 86.85 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 120.744 -1.222 . . . . 10.0 112.377 171.522 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.3 -43.68 93.96 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.506 1.048 . . . . 10.0 112.14 170.366 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.437 ' CE2' HG12 ' A' ' 75' ' ' VAL . 52.8 m-85 -64.7 -43.09 94.6 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.333 0.969 . . . . 10.0 112.79 176.65 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 44.0 mtt180 -70.0 -32.73 71.07 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.706 0.802 . . . . 10.0 112.122 176.1 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 45.7 m -65.51 -43.26 90.63 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 118.952 -0.547 . . . . 10.0 110.517 169.601 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 39.4 tp -62.39 -47.12 85.56 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-O 118.353 -0.832 . . . . 10.0 112.478 179.236 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -65.63 -40.89 93.02 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.64 1.109 . . . . 10.0 111.502 177.022 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.3 m -63.21 -29.82 71.08 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.977 0.911 . . . . 10.0 112.74 175.203 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -81.11 -38.27 27.53 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.433 1.493 . . . . 10.0 112.621 175.846 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.2 mm? . . . . . 0 N--CA 1.474 0.728 0 C-N-CA 124.854 1.262 . . . . 10.0 111.889 170.127 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 mp . . . . . 0 CA--C 1.537 0.467 0 N-CA-C 108.93 -0.767 . . . . 10.0 108.93 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.8 t -144.09 171.85 13.7 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 126.05 1.74 . . . . 10.0 107.82 179.199 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.2 mp0 -50.48 -34.42 24.86 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 119.329 0.968 . . . . 10.0 113.479 -170.525 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.86 -63.23 5.27 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 123.93 0.776 . . . . 10.0 113.603 172.365 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -65.23 -32.86 74.74 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.605 1.162 . . . . 10.0 111.745 -178.728 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 93.1 mt -70.08 -39.69 75.45 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.005 0.922 . . . . 10.0 112.5 173.148 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -65.69 -38.33 88.96 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 119.528 1.058 . . . . 10.0 111.615 170.802 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.57 -43.64 84.71 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 118.852 0.751 . . . . 10.0 112.068 172.204 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.6 mt -65.42 -48.39 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-N 118.471 0.578 . . . . 10.0 110.606 174.524 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.5 m -58.91 -39.89 82.86 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.181 0.9 . . . . 10.0 112.427 178.167 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.2 t -65.97 -43.57 87.49 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.867 1.267 . . . . 10.0 112.167 172.857 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -57.77 -41.67 82.48 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.033 0.833 . . . . 10.0 111.987 173.566 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.6 mt -66.97 -45.15 78.57 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.283 0.633 . . . . 10.0 111.871 176.334 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -57.36 -49.62 75.58 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.075 0.55 . . . . 10.0 111.225 174.471 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -61.23 -40.0 92.41 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.099 0.559 . . . . 10.0 111.909 176.275 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 95.8 m -61.0 -44.64 97.12 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.321 0.649 . . . . 10.0 111.252 179.473 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.414 HG23 ' HB1' ' A' ' 74' ' ' ALA . 46.0 mt -71.08 -41.0 76.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-O 118.077 -0.963 . . . . 10.0 111.102 177.439 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.2 t -54.96 -51.63 65.53 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 118.601 0.637 . . . . 10.0 111.382 173.255 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.73 -39.26 76.86 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 115.374 1.62 . . . . 10.0 115.374 171.69 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -66.87 -44.49 80.82 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.766 1.166 . . . . 10.0 110.546 179.38 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 85.8 mt -62.32 -50.71 78.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 123.535 0.734 . . . . 10.0 109.978 175.93 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.8 mp -61.27 -24.29 66.29 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.641 0.978 . . . . 10.0 113.641 177.802 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -97.69 8.28 44.95 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.221 1.009 . . . . 10.0 113.605 173.852 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.419 HH11 HG13 ' A' ' 70' ' ' ILE . 51.0 mtt180 -119.69 -34.1 3.85 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.87 1.433 . . . . 10.0 114.87 168.172 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.1 t -136.79 139.21 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.683 1.193 . . . . 10.0 109.377 -177.79 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.0 t -62.99 120.55 11.6 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 121.734 0.778 . . . . 10.0 111.434 179.641 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.71 -25.17 10.26 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.209 1.404 . . . . 10.0 113.048 169.589 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -75.38 -2.13 27.05 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.796 0.838 . . . . 10.0 112.753 175.54 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -121.32 8.92 10.29 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.171 1.388 . . . . 10.0 111.485 169.024 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.0 mt -106.38 128.14 61.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 C-N-CA 125.858 1.663 . . . . 10.0 107.894 173.845 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.4 t -68.89 -52.97 29.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 123.261 0.624 . . . . 10.0 109.323 171.079 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -165.82 177.07 7.43 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.552 0.741 . . . . 10.0 112.792 171.296 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.57 143.0 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 C-N-CA 125.201 1.401 . . . . 10.0 109.753 168.437 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -130.37 120.02 23.64 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 106.981 -1.488 . . . . 10.0 106.981 170.029 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.3 mm -106.93 113.58 43.79 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.244 0 N-CA-C 107.149 -1.426 . . . . 10.0 107.149 175.759 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 45.3 m -87.08 115.76 24.69 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 106.34 -1.726 . . . . 10.0 106.34 179.794 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -115.91 118.5 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 C-N-CA 125.989 1.716 . . . . 10.0 110.691 -177.959 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 71.0 mt -117.84 139.14 51.52 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 124.627 1.171 . . . . 10.0 109.722 171.099 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.4 p -139.81 131.9 34.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 C-N-CA 123.128 0.571 . . . . 10.0 109.887 174.2 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -146.29 159.09 43.82 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.544 1.537 . . . . 10.0 110.632 -168.365 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -146.34 105.47 3.9 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 108.76 -0.83 . . . . 10.0 108.76 176.409 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 57.1 m -131.84 94.59 3.53 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 120.709 -1.244 . . . . 10.0 110.058 174.087 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.5 t70 63.75 -30.73 0.1 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 127.01 2.124 . . . . 10.0 114.055 -169.307 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.71 160.18 39.62 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 128.398 2.679 . . . . 10.0 110.528 172.208 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 47.6 tp -85.0 129.22 34.83 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.419 1.888 . . . . 10.0 109.941 -176.484 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -122.86 136.44 54.87 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.445 1.098 . . . . 10.0 109.129 173.393 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 10.5 p -131.12 142.43 43.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 C-N-CA 125.268 1.427 . . . . 10.0 107.161 168.748 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -127.01 129.46 48.12 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 108.016 -1.105 . . . . 10.0 108.016 169.809 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.8 mt -124.51 109.2 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.83 0 N-CA-C 103.876 -2.638 . . . . 10.0 103.876 168.521 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.7 m -119.64 135.51 54.78 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 104.994 -2.225 . . . . 10.0 104.994 178.902 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -129.95 138.19 50.73 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 114.079 1.14 . . . . 10.0 114.079 -166.716 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -123.57 121.84 36.65 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.773 1.629 . . . . 10.0 107.977 -176.181 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.1 tt -127.8 113.15 15.58 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 107.587 -1.264 . . . . 10.0 107.587 -174.714 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -109.44 103.63 12.57 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.495 0.718 . . . . 10.0 109.607 -170.524 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.1 mt -82.34 151.9 26.5 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.245 1.418 . . . . 10.0 112.553 179.883 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -61.7 138.4 58.31 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.613 0.765 . . . . 10.0 109.958 168.599 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.1 pm0 -65.0 -8.57 16.5 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 115.026 1.491 . . . . 10.0 115.026 -178.391 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.26 0.77 43.83 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.418 1.487 . . . . 10.0 112.229 170.288 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.0 t -89.84 171.24 9.75 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.046 1.338 . . . . 10.0 112.85 178.16 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -159.05 118.17 2.99 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.518 1.927 . . . . 10.0 107.806 177.573 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -138.46 179.68 6.32 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.218 1.807 . . . . 10.0 111.293 174.892 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -85.18 138.45 36.71 Favored Pre-proline 0 CA--C 1.546 0.822 0 O-C-N 120.904 -1.122 . . . . 10.0 112.555 -166.331 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -74.38 49.0 1.95 Allowed 'Trans proline' 0 CA--C 1.547 1.131 1 C-N-CA 126.26 4.64 . . . . 10.0 114.009 -169.379 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.03 -1.51 0.03 OUTLIER Glycine 0 CA--C 1.536 1.359 0 C-N-CA 125.573 1.558 . . . . 10.0 115.049 178.677 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.419 HG13 HH11 ' A' ' 29' ' ' ARG . 6.1 tt -55.57 -22.65 12.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-N 119.544 1.672 . . . . 10.0 115.485 -171.77 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.405 ' O ' HG23 ' A' ' 75' ' ' VAL . 13.6 p -81.71 -27.49 9.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 C-N-CA 125.05 1.34 . . . . 10.0 113.736 175.23 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -60.21 -43.13 96.21 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 120.218 1.372 . . . . 10.0 110.284 178.448 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -64.02 -30.8 71.85 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.16 0.984 . . . . 10.0 112.302 171.678 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.414 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -67.47 -44.67 78.01 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-N 119.209 0.913 . . . . 10.0 111.421 173.732 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.467 HG12 ' CE2' ' A' ' 79' ' ' TYR . 1.6 t -68.07 -41.51 84.4 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 O-C-N 122.203 -0.311 . . . . 10.0 110.961 177.7 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -58.77 -40.82 85.03 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.604 1.162 . . . . 10.0 111.121 174.062 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.32 -37.94 87.54 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.623 -0.673 . . . . 10.0 112.505 173.032 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.15 -40.21 78.34 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-N 118.863 0.756 . . . . 10.0 112.933 171.812 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.467 ' CE2' HG12 ' A' ' 75' ' ' VAL . 47.3 m-85 -61.63 -43.0 99.67 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.374 0.988 . . . . 10.0 112.029 174.074 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 73.2 mtt-85 -70.48 -35.42 73.26 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.438 -0.788 . . . . 10.0 112.234 175.007 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 46.9 m -63.15 -40.59 98.0 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.907 0.483 . . . . 10.0 111.194 172.155 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 31.9 tp -64.15 -47.04 81.43 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 123.687 0.795 . . . . 10.0 111.449 173.954 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -63.12 -41.27 99.3 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.467 0.576 . . . . 10.0 111.117 178.534 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.1 t -67.76 -31.94 72.2 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 112.949 0.722 . . . . 10.0 112.949 174.774 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -65.29 -42.14 93.44 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.129 -0.982 . . . . 10.0 111.545 170.143 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 C--N 1.345 0.378 0 CA-C-O 117.406 -1.283 . . . . 10.0 112.345 168.46 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 80.1 mt . . . . . 0 CA--C 1.536 0.407 0 CA-C-O 120.922 0.392 . . . . 10.0 111.119 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.9 t -141.29 -168.53 2.65 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.542 1.537 . . . . 10.0 109.98 173.183 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -48.02 -39.05 18.62 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.464 1.505 . . . . 10.0 113.329 -173.866 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.11 -47.5 64.48 Favored Glycine 0 CA--C 1.53 1.025 0 C-N-CA 123.55 0.595 . . . . 10.0 113.385 178.387 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.48 -39.98 85.25 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 118.107 0.954 . . . . 10.0 110.905 178.749 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mp -65.47 -42.65 92.03 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.106 0.962 . . . . 10.0 111.847 175.145 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -61.13 -46.17 91.67 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 119.058 0.844 . . . . 10.0 111.361 170.574 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -60.58 -44.01 96.68 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.883 0.873 . . . . 10.0 111.91 179.004 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.5 mt -64.89 -42.94 96.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-N 118.507 0.594 . . . . 10.0 110.466 174.411 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.6 p -58.71 -40.83 84.79 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 119.02 0.827 . . . . 10.0 111.981 174.824 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.0 t -68.63 -42.11 78.49 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.778 1.231 . . . . 10.0 111.515 176.941 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -60.17 -42.77 95.67 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 118.718 0.69 . . . . 10.0 111.926 178.929 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -76.89 -37.47 55.41 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 118.084 -0.96 . . . . 10.0 113.181 175.218 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -58.55 -44.34 89.63 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 120.081 1.309 . . . . 10.0 111.924 173.791 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -65.09 -41.73 94.73 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 118.648 -0.691 . . . . 10.0 111.531 171.819 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.5 m -60.91 -47.37 86.72 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.091 0.86 . . . . 10.0 111.155 -179.185 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.2 mt -65.16 -43.38 95.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-N 118.699 0.681 . . . . 10.0 110.463 175.749 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.8 m -57.3 -49.06 77.3 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.313 0.506 . . . . 10.0 111.469 179.365 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -65.25 -38.71 91.2 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.287 0.635 . . . . 10.0 112.031 176.143 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -70.52 -35.39 73.15 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 118.802 0.728 . . . . 10.0 111.466 -179.909 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.5 mt -63.44 -53.07 50.07 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-O 118.1 -0.953 . . . . 10.0 108.74 169.51 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -59.15 -34.54 72.2 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.55 1.068 . . . . 10.0 113.74 -179.447 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.73 -7.38 58.58 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.478 0.918 . . . . 10.0 113.478 174.67 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -113.77 -27.1 7.91 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 116.118 1.896 . . . . 10.0 116.118 176.73 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.06 137.69 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 126.749 2.02 . . . . 10.0 109.282 174.709 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.2 t -75.58 136.3 40.52 Favored 'General case' 0 N--CA 1.464 0.226 0 O-C-N 121.208 -0.932 . . . . 10.0 111.327 -177.043 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.92 -24.85 3.93 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.578 1.151 . . . . 10.0 113.395 169.208 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -64.08 -20.3 65.85 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.823 1.192 . . . . 10.0 113.747 171.745 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -93.09 -11.81 32.02 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.933 1.693 . . . . 10.0 112.125 176.594 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.0 mm -110.28 128.22 66.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 127.27 2.228 . . . . 10.0 110.08 -168.204 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.4 t -70.04 -52.67 28.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 123.819 0.847 . . . . 10.0 110.387 169.578 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -164.3 177.22 8.46 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.46 0.704 . . . . 10.0 112.434 178.844 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 21.2 pt -133.97 143.09 39.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 125.444 1.498 . . . . 10.0 111.818 172.403 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -116.49 118.37 32.48 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 125.052 1.341 . . . . 10.0 108.741 168.703 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.2 mt -131.15 124.57 55.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 N-CA-C 108.882 -0.784 . . . . 10.0 108.882 177.036 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 79.9 m -119.85 128.77 53.99 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 125.497 1.519 . . . . 10.0 109.155 174.555 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.0 t -115.52 124.81 72.39 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 N-CA-C 106.318 -1.734 . . . . 10.0 106.318 168.871 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -117.66 138.94 51.64 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 125.035 1.334 . . . . 10.0 108.899 178.82 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.4 p -139.67 131.14 33.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 C-N-CA 124.438 1.095 . . . . 10.0 108.523 -179.168 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -149.62 160.06 43.81 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.792 0.837 . . . . 10.0 111.301 -177.937 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -139.26 102.8 4.59 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 107.796 -1.186 . . . . 10.0 107.796 -175.678 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.2 t -131.17 80.88 1.96 Allowed 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.119 1.368 . . . . 10.0 108.166 -174.129 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.0 t70 64.64 -37.5 0.21 Allowed 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 127.656 2.382 . . . . 10.0 113.054 -166.854 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -116.2 152.21 34.19 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 127.496 2.318 . . . . 10.0 109.711 169.763 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 54.4 tp -85.3 129.04 34.89 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.777 1.231 . . . . 10.0 109.302 176.179 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -128.43 147.11 50.64 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.68 1.192 . . . . 10.0 110.183 -177.942 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 74.4 t -135.73 141.75 41.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 C-N-CA 125.704 1.602 . . . . 10.0 107.239 173.821 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -129.14 141.84 51.06 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 125.538 1.535 . . . . 10.0 108.355 170.098 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 37.6 mt -132.18 123.11 49.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 N-CA-C 108.099 -1.075 . . . . 10.0 108.099 171.496 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.1 t -126.86 122.57 35.04 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 125.022 1.329 . . . . 10.0 108.381 179.483 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.19 146.59 52.39 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.118 0.967 . . . . 10.0 110.361 -177.734 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -145.85 147.62 32.0 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 125.386 1.474 . . . . 10.0 109.311 171.919 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.9 pp -127.88 143.96 51.1 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-O 122.33 1.062 . . . . 10.0 111.818 172.206 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -106.87 109.58 21.52 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 106.936 -1.505 . . . . 10.0 106.936 -177.879 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.0 mt -82.16 151.71 26.8 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 124.183 0.993 . . . . 10.0 109.984 176.68 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -64.27 147.25 52.86 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 120.396 -0.521 . . . . 10.0 109.657 167.487 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -66.81 14.82 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.191 1.397 . . . . 10.0 114.62 -177.576 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 34.9 tp -131.2 -3.83 3.9 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 128.501 2.72 . . . . 10.0 112.092 178.535 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 53.9 m -95.5 152.49 18.38 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.822 1.249 . . . . 10.0 112.118 -178.355 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -142.11 94.4 2.66 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 123.034 1.397 . . . . 10.0 110.578 -179.503 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.22 -176.6 4.02 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.6 1.56 . . . . 10.0 112.066 172.686 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -85.54 145.54 42.28 Favored Pre-proline 0 CA--C 1.547 0.836 0 O-C-N 121.18 -0.95 . . . . 10.0 112.003 -171.995 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -74.41 45.84 1.3 Allowed 'Trans proline' 0 CA--C 1.548 1.22 1 C-N-CA 125.825 4.35 . . . . 10.0 113.961 -174.707 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.1 14.98 0.02 OUTLIER Glycine 0 CA--C 1.539 1.547 0 C-N-CA 126.991 2.234 . . . . 10.0 114.255 176.127 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 8.0 tt -69.6 -18.22 22.08 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-N 118.469 1.134 . . . . 10.0 113.654 -170.574 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 79.4 t -78.92 -54.48 11.71 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.292 0 C-N-CA 124.882 1.273 . . . . 10.0 109.245 169.813 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -52.89 -44.18 66.7 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 126.222 1.809 . . . . 10.0 111.559 -176.954 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -64.04 -33.27 75.36 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.702 0.631 . . . . 10.0 112.702 174.078 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.33 -40.01 67.73 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 122.067 -0.395 . . . . 10.0 111.344 175.925 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.434 HG12 ' CE2' ' A' ' 79' ' ' TYR . 1.7 t -70.55 -41.15 77.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-O 118.6 -0.714 . . . . 10.0 111.005 177.915 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -58.7 -39.57 81.15 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.748 1.158 . . . . 10.0 111.321 170.297 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.89 -37.79 88.32 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.905 0.775 . . . . 10.0 112.039 173.81 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.02 -44.29 85.12 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.326 0.966 . . . . 10.0 113.174 170.663 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.434 ' CE2' HG12 ' A' ' 75' ' ' VAL . 51.1 m-85 -60.92 -43.1 99.07 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.332 0.969 . . . . 10.0 111.688 175.887 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.5 mtt-85 -72.4 -32.83 66.7 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.993 0.738 . . . . 10.0 112.993 176.425 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.2 t -63.09 -43.66 97.9 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.733 0.813 . . . . 10.0 110.75 170.024 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 45.2 tp -61.0 -47.1 88.01 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 118.82 0.736 . . . . 10.0 111.823 174.843 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -65.26 -41.36 94.34 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.285 0.948 . . . . 10.0 111.47 177.472 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.1 t -68.11 -19.22 64.82 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.545 0.943 . . . . 10.0 113.545 175.381 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -81.02 -40.97 23.43 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.46 1.504 . . . . 10.0 111.218 172.562 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.6 mm? . . . . . 0 N--CA 1.469 0.52 0 CA-C-N 119.455 1.025 . . . . 10.0 111.828 168.532 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.0 mt . . . . . 0 CA--C 1.535 0.373 0 CA-C-O 120.767 0.318 . . . . 10.0 110.986 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.6 t -153.16 -169.19 3.25 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.915 1.286 . . . . 10.0 110.392 -179.455 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -59.53 24.51 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 130.666 3.586 . . . . 10.0 115.563 -179.051 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -144.93 -50.91 0.03 OUTLIER Glycine 0 CA--C 1.527 0.815 0 C-N-CA 126.143 1.83 . . . . 10.0 110.743 173.337 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -65.29 -38.48 90.36 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.596 -0.944 . . . . 10.0 112.387 175.739 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.9 mt -69.26 -35.49 76.15 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.695 -0.628 . . . . 10.0 111.607 173.038 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -64.56 -45.3 87.68 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.334 0.654 . . . . 10.0 110.646 173.738 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -59.85 -37.88 80.51 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.815 0.846 . . . . 10.0 112.505 172.893 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.4 mt -64.58 -40.27 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 O-C-N 120.822 -1.174 . . . . 10.0 110.418 172.636 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.3 p -60.3 -38.9 85.06 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.953 0.797 . . . . 10.0 112.327 171.354 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.03 -43.97 93.97 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.334 1.454 . . . . 10.0 111.509 174.815 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -60.98 -42.68 98.85 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.021 0.928 . . . . 10.0 111.52 176.041 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.8 mt -71.26 -46.72 60.34 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.042 0.537 . . . . 10.0 111.83 178.634 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -58.3 -47.97 81.99 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 118.598 0.635 . . . . 10.0 111.401 175.035 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -60.64 -40.85 93.5 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 119.018 -0.515 . . . . 10.0 111.447 175.111 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.6 m -61.07 -46.69 89.63 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 118.745 0.702 . . . . 10.0 111.611 179.409 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.461 HG23 ' HB1' ' A' ' 74' ' ' ALA . 47.4 mt -63.52 -45.85 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-N 118.597 0.635 . . . . 10.0 110.384 174.223 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.2 t -58.71 -50.5 73.65 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.428 0.558 . . . . 10.0 112.112 -179.327 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -63.51 -38.82 92.6 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-O 118.047 -0.978 . . . . 10.0 111.763 174.303 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -62.22 -45.7 92.18 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 120.311 1.414 . . . . 10.0 111.057 175.754 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.5 mt -59.94 -52.95 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-O 118.118 -0.944 . . . . 10.0 108.854 177.849 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.1 mp -60.74 -27.94 68.31 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.495 1.043 . . . . 10.0 113.555 178.066 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -79.79 -8.82 59.49 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.948 1.299 . . . . 10.0 114.092 172.615 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.72 -26.26 4.52 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 114.468 1.284 . . . . 10.0 114.468 -177.205 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.4 p -151.34 142.19 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 127.284 2.234 . . . . 10.0 109.389 -179.257 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.9 t -80.31 136.51 36.43 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 115.13 1.53 . . . . 10.0 115.13 -169.022 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.95 -24.62 3.8 Favored 'General case' 0 CA--C 1.551 0.998 0 O-C-N 120.758 -1.214 . . . . 10.0 112.193 165.679 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -80.44 -10.74 59.74 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 115.198 1.555 . . . . 10.0 115.198 177.768 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -113.62 -3.48 13.6 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.623 1.169 . . . . 10.0 111.67 173.387 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 75.7 mt -95.79 128.15 47.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 C-N-CA 127.01 2.124 . . . . 10.0 109.675 175.942 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.4 t -72.78 -49.98 36.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 124.294 1.038 . . . . 10.0 109.569 168.365 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -164.09 176.48 9.25 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 123.347 0.659 . . . . 10.0 112.417 176.411 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 15.5 pt -137.28 134.13 47.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 125.458 1.503 . . . . 10.0 111.003 171.915 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -103.32 122.77 45.5 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 107.491 -1.3 . . . . 10.0 107.491 168.215 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 85.0 mt -131.21 121.21 48.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 N-CA-C 109.02 -0.733 . . . . 10.0 109.02 174.573 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 85.4 m -119.73 117.83 29.27 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 125.645 1.578 . . . . 10.0 108.298 178.052 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.8 t -115.57 126.13 73.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 N-CA-C 107.52 -1.289 . . . . 10.0 107.52 172.256 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 73.9 mt -117.79 139.08 51.58 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 124.273 1.029 . . . . 10.0 108.947 178.415 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 38.6 t -139.61 136.21 39.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 C-N-CA 124.587 1.155 . . . . 10.0 108.91 -177.308 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -147.03 159.78 43.17 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.647 1.179 . . . . 10.0 110.426 -179.041 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -134.51 103.92 5.88 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.313 0.645 . . . . 10.0 110.054 169.706 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.0 m -131.27 81.02 1.96 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.243 1.417 . . . . 10.0 108.046 -179.047 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.6 t70 64.92 -43.9 0.33 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 127.784 2.434 . . . . 10.0 113.168 -168.143 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -100.4 159.7 14.93 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.567 1.947 . . . . 10.0 110.997 167.585 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.5 tp -85.23 123.86 31.21 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 107.045 -1.465 . . . . 10.0 107.045 168.236 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -123.13 136.85 54.96 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 123.091 0.556 . . . . 10.0 110.094 -179.037 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 97.6 t -135.99 146.48 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 C-N-CA 125.106 1.362 . . . . 10.0 108.743 177.011 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -137.11 144.43 43.05 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 125.517 1.527 . . . . 10.0 109.008 169.555 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 42.5 mt -132.05 128.1 58.86 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.13 0 C-N-CA 124.5 1.12 . . . . 10.0 107.985 -178.522 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.4 m -131.94 131.77 42.94 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 123.676 0.79 . . . . 10.0 109.567 168.145 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.15 143.86 50.94 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.699 0.8 . . . . 10.0 109.444 172.316 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -136.27 143.76 44.42 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.975 1.31 . . . . 10.0 109.32 173.317 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 59.1 tp -127.99 107.85 10.18 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.61 1.564 . . . . 10.0 111.518 -166.599 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -96.14 107.61 19.96 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.497 -0.557 . . . . 10.0 109.497 -178.015 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -82.17 152.11 26.62 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.138 1.375 . . . . 10.0 111.643 172.769 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.91 147.06 24.68 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.931 167.415 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -64.98 -4.07 4.19 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.912 1.449 . . . . 10.0 114.912 -177.483 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 76.8 mt -113.31 8.78 18.14 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 125.816 1.646 . . . . 10.0 112.797 173.854 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.1 m -130.13 146.39 51.77 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.971 1.308 . . . . 10.0 112.593 -171.418 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -147.26 94.47 2.4 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 123.016 1.389 . . . . 10.0 112.329 -169.284 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.97 -177.2 3.77 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.343 1.457 . . . . 10.0 112.606 168.943 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.26 146.18 44.42 Favored Pre-proline 0 CA--C 1.547 0.844 0 O-C-N 120.632 -1.293 . . . . 10.0 112.421 -169.252 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -73.17 54.63 2.77 Favored 'Trans proline' 0 CA--C 1.545 1.056 1 C-N-CA 125.805 4.337 . . . . 10.0 112.757 178.823 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.05 -12.69 0.03 OUTLIER Glycine 0 CA--C 1.535 1.323 0 C-N-CA 125.531 1.539 . . . . 10.0 114.87 -177.846 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.0 tt -57.46 -24.42 21.8 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 N-CA-C 115.114 1.524 . . . . 10.0 115.114 -173.841 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 65.1 t -76.25 -50.44 22.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 125.539 1.536 . . . . 10.0 111.144 172.787 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -56.9 -36.08 69.74 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.509 1.124 . . . . 10.0 111.313 173.892 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -63.58 -41.51 98.36 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 122.926 0.491 . . . . 10.0 110.465 172.004 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.461 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -70.47 -41.46 72.73 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 119.038 0.835 . . . . 10.0 112.218 179.394 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 43.2 t -67.44 -50.88 57.84 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 125.161 1.385 . . . . 10.0 110.458 -179.028 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -58.92 -38.28 78.58 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.631 1.105 . . . . 10.0 111.834 171.056 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.01 -37.36 86.89 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 120.267 1.394 . . . . 10.0 112.411 175.311 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.1 -39.33 93.01 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.596 -0.69 . . . . 10.0 111.727 169.163 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -63.95 -43.04 97.04 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 117.788 -1.101 . . . . 10.0 113.312 173.112 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.1 mmt180 -66.51 -33.05 74.81 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 120.743 1.611 . . . . 10.0 112.236 174.246 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 25.1 m -65.72 -42.75 90.7 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.232 0.613 . . . . 10.0 111.055 172.258 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 23.2 tp -67.21 -45.27 77.36 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.152 0.981 . . . . 10.0 112.85 174.209 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -58.9 -31.46 68.64 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.321 1.848 . . . . 10.0 110.899 176.325 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.7 m -76.87 -45.52 27.97 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.4 1.08 . . . . 10.0 111.886 169.236 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -58.7 -40.92 85.03 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.012 1.325 . . . . 10.0 113.744 -173.525 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 CA--C 1.539 0.539 0 N-CA-C 114.561 1.319 . . . . 10.0 114.561 176.295 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 40.2 mt . . . . . 0 CA--C 1.533 0.292 0 CA-C-O 121.635 0.731 . . . . 10.0 110.024 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.0 t -145.34 -170.58 3.47 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 126.133 1.773 . . . . 10.0 109.841 -175.421 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -63.79 33.18 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 129.878 3.271 . . . . 10.0 114.705 -178.126 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -145.17 -55.72 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 C-N-CA 126.676 2.084 . . . . 10.0 110.347 169.977 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.93 -43.36 99.0 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 117.896 0.848 . . . . 10.0 111.734 174.194 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.5 mt -69.25 -35.41 76.09 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.313 0.645 . . . . 10.0 111.921 176.717 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -64.74 -46.16 83.41 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 122.946 0.498 . . . . 10.0 110.521 174.94 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -63.24 -37.97 89.32 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.49 0.716 . . . . 10.0 112.312 174.241 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.6 mt -64.38 -41.5 92.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 O-C-N 120.932 -1.105 . . . . 10.0 110.128 173.921 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.2 p -58.93 -41.87 88.36 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.873 0.76 . . . . 10.0 112.025 171.098 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -44.02 97.57 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.819 1.247 . . . . 10.0 111.396 175.862 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -64.52 -42.55 95.7 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.08 0.952 . . . . 10.0 112.009 177.988 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.2 mt -67.28 -47.92 69.22 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.929 -0.482 . . . . 10.0 111.077 176.798 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.9 t-160 -59.92 -43.73 94.73 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.491 0.716 . . . . 10.0 111.63 177.436 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -60.78 -45.56 93.89 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 118.732 -0.651 . . . . 10.0 111.932 171.602 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.9 m -61.1 -46.77 89.25 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 118.736 0.698 . . . . 10.0 111.231 -175.106 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.433 HG23 ' HB1' ' A' ' 74' ' ' ALA . 52.5 mt -65.01 -44.18 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-N 117.862 0.301 . . . . 10.0 110.407 175.445 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 m -60.67 -50.54 73.1 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.41 0.684 . . . . 10.0 112.338 -178.936 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -61.01 -38.56 86.48 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-O 117.062 -1.447 . . . . 10.0 114.404 168.557 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -60.94 -45.8 93.25 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 121.629 2.013 . . . . 10.0 110.465 176.771 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 63.1 mt -61.74 -51.64 70.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-O 117.87 -1.062 . . . . 10.0 109.965 176.392 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.4 mp -63.94 -18.48 64.29 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 120.558 1.527 . . . . 10.0 114.078 178.514 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -95.57 4.6 53.0 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.333 1.453 . . . . 10.0 112.127 172.714 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -124.22 -30.87 3.39 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.554 1.542 . . . . 10.0 114.5 174.324 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.2 t -145.67 137.91 20.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 126.943 2.097 . . . . 10.0 108.308 -171.121 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 40.5 t -79.22 136.46 37.08 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 122.389 1.09 . . . . 10.0 113.782 -171.749 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.92 -24.66 3.79 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.214 1.006 . . . . 10.0 112.968 167.442 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -87.63 -3.88 58.96 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 115.348 1.61 . . . . 10.0 115.348 178.428 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -117.43 -12.18 10.45 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.734 1.214 . . . . 10.0 112.095 169.837 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.5 mt -78.34 128.05 38.46 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 C-N-CA 125.765 1.626 . . . . 10.0 109.552 169.646 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 38.4 t -74.94 -51.04 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 C-N-CA 124.897 1.279 . . . . 10.0 108.46 167.756 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -163.33 176.52 9.79 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.652 0.781 . . . . 10.0 113.061 170.129 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.0 pt -131.71 142.31 43.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 125.624 1.57 . . . . 10.0 110.003 169.845 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -122.61 112.14 17.63 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 107.969 -1.123 . . . . 10.0 107.969 179.824 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 73.3 mt -129.33 119.12 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 C-N-CA 123.891 0.876 . . . . 10.0 108.758 -175.851 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.6 m -119.65 117.59 28.7 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 125.261 1.424 . . . . 10.0 107.809 177.562 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.1 m -115.84 118.84 60.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 C-N-CA 126.317 1.847 . . . . 10.0 108.856 178.672 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 mp -117.77 139.02 51.65 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.549 1.14 . . . . 10.0 109.344 -179.914 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.3 p -139.73 139.53 37.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 C-N-CA 123.23 0.612 . . . . 10.0 109.558 174.314 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -145.55 159.98 42.32 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.664 1.186 . . . . 10.0 111.088 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -140.76 99.76 3.69 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 107.097 -1.446 . . . . 10.0 107.097 170.432 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.2 m -126.61 80.47 1.94 Allowed 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 105.765 -1.939 . . . . 10.0 105.765 -171.774 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.0 t70 61.46 -36.53 0.11 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 127.453 2.301 . . . . 10.0 113.505 -165.849 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -114.92 147.08 40.45 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 127.869 2.468 . . . . 10.0 109.599 169.493 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 36.4 tp -85.29 129.11 34.88 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.261 1.425 . . . . 10.0 109.759 177.26 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.441 ' HE2' ' HB2' ' A' ' 53' ' ' ASP . 82.0 tttt -133.96 144.08 48.56 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.609 0.719 . . . . 10.0 111.002 171.342 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.9 p -131.07 140.69 47.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 C-N-CA 126.061 1.745 . . . . 10.0 107.23 168.433 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.441 ' HB2' ' HE2' ' A' ' 51' ' ' LYS . 5.8 t0 -140.31 140.35 35.63 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 125.041 1.336 . . . . 10.0 110.071 -175.126 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 16.5 mt -132.46 129.19 58.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.285 -0.87 . . . . 10.0 108.698 -170.083 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 59.5 m -131.58 122.73 26.56 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 123.925 0.89 . . . . 10.0 108.754 169.984 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.12 138.33 49.45 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.788 0.835 . . . . 10.0 110.166 177.79 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -140.12 145.9 38.17 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.043 1.337 . . . . 10.0 109.303 -177.236 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.5 tp -127.85 126.43 41.61 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 125.06 1.344 . . . . 10.0 109.983 -168.323 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -113.14 102.92 10.84 Favored 'General case' 0 C--N 1.337 0.032 0 C-N-CA 123.585 0.754 . . . . 10.0 109.015 176.802 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 30.6 mt -82.85 151.88 25.84 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.111 1.364 . . . . 10.0 111.901 169.158 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -63.11 142.94 58.19 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 108.22 -1.03 . . . . 10.0 108.22 164.925 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -64.77 -6.14 7.39 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.152 1.167 . . . . 10.0 114.152 -174.242 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.6 mt -93.28 3.33 55.82 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.973 1.309 . . . . 10.0 114.11 171.903 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.99 147.67 48.82 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.776 1.171 . . . . 10.0 112.631 175.544 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -144.82 94.4 2.54 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.66 1.584 . . . . 10.0 110.232 -173.587 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.61 -178.43 6.73 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.895 1.278 . . . . 10.0 112.727 171.527 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -85.42 146.08 43.79 Favored Pre-proline 0 CA--C 1.547 0.848 0 O-C-N 121.199 -0.938 . . . . 10.0 113.083 -168.374 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -73.54 55.96 3.26 Favored 'Trans proline' 0 CA--C 1.545 1.035 1 C-N-CA 126.21 4.607 . . . . 10.0 113.43 -173.728 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 176.6 -3.65 0.03 OUTLIER Glycine 0 CA--C 1.539 1.544 0 C-N-CA 126.895 2.188 . . . . 10.0 114.395 178.154 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.7 tt -66.72 -23.14 30.71 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 CA-C-N 119.24 1.52 . . . . 10.0 114.119 -169.956 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.6 t -79.39 -48.71 20.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 124.263 1.025 . . . . 10.0 109.408 171.409 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.9 -40.73 70.1 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.387 1.875 . . . . 10.0 111.772 179.508 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -63.98 -33.16 75.1 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 118.593 -0.718 . . . . 10.0 112.427 171.668 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.433 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -66.51 -42.74 86.87 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 119.781 1.173 . . . . 10.0 110.827 175.075 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.445 HG12 ' CE2' ' A' ' 79' ' ' TYR . 2.4 t -66.18 -47.77 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 C-N-CA 122.976 0.51 . . . . 10.0 110.364 178.408 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -58.9 -41.48 87.29 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.658 0.783 . . . . 10.0 112.0 172.693 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.81 -39.39 94.12 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.163 -0.961 . . . . 10.0 111.377 175.556 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.15 -41.85 99.35 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 118.908 0.777 . . . . 10.0 112.333 170.243 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.445 ' CE2' HG12 ' A' ' 75' ' ' VAL . 45.6 m-85 -63.66 -43.2 97.45 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 119.21 0.914 . . . . 10.0 112.792 175.736 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -64.76 -41.68 95.71 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.727 1.149 . . . . 10.0 110.656 173.888 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 38.7 m -64.91 -31.51 72.77 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-O 117.95 -1.024 . . . . 10.0 112.41 -179.769 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -63.17 -47.19 83.67 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 119.878 1.217 . . . . 10.0 111.469 176.36 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.99 -41.24 87.09 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 118.783 -0.627 . . . . 10.0 111.538 178.093 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . 0.361 58.6 m -77.61 -17.74 57.5 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 115.106 1.521 . . . . 10.0 115.106 176.649 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -65.76 -36.43 83.54 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.055 -1.028 . . . . 10.0 109.242 164.98 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.5 mt . . . . . 0 N--CA 1.469 0.477 0 CA-C-O 118.036 -0.983 . . . . 10.0 112.202 171.952 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 CA--C 1.53 0.205 0 CA-C-O 121.313 0.578 . . . . 10.0 110.532 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.5 t -141.68 -169.41 2.89 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.102 1.361 . . . . 10.0 110.188 177.125 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -48.47 -36.37 14.9 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.55 1.54 . . . . 10.0 113.159 -177.093 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.44 -48.84 60.51 Favored Glycine 0 CA--C 1.533 1.182 0 CA-C-O 119.372 -0.682 . . . . 10.0 113.661 176.95 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.98 -42.75 89.44 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.696 1.248 . . . . 10.0 110.907 177.052 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.4 mp -65.08 -37.9 89.02 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 118.448 -0.787 . . . . 10.0 112.624 176.772 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -66.73 -45.8 77.51 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 119.338 0.972 . . . . 10.0 111.625 169.413 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -59.57 -44.3 93.33 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 119.6 1.091 . . . . 10.0 111.408 178.87 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.0 mt -65.12 -46.53 90.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 C-N-CA 123.416 0.686 . . . . 10.0 110.466 175.181 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.3 m -64.64 -38.39 90.83 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.382 -0.824 . . . . 10.0 111.406 -178.28 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.0 t -67.58 -43.45 80.52 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.439 1.495 . . . . 10.0 112.019 172.7 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -56.83 -42.51 79.77 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 119.158 0.89 . . . . 10.0 111.459 172.987 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.3 mt -69.37 -47.22 64.92 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 118.395 -0.812 . . . . 10.0 111.915 176.911 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -56.45 -49.92 73.2 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.669 1.122 . . . . 10.0 111.732 174.32 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -63.03 -34.93 78.62 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 118.961 -0.542 . . . . 10.0 111.41 178.94 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.8 m -61.1 -46.08 92.07 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 118.961 0.8 . . . . 10.0 111.368 174.771 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.521 HG23 ' HB1' ' A' ' 74' ' ' ALA . 52.5 mt -66.03 -48.29 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-N 118.532 0.606 . . . . 10.0 110.689 175.934 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.5 m -60.71 -45.3 94.75 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.188 0.595 . . . . 10.0 111.83 -178.408 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.04 -38.85 90.28 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 114.088 1.144 . . . . 10.0 114.088 169.029 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -62.88 -45.81 90.81 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 120.345 1.43 . . . . 10.0 110.268 176.176 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.1 mt -60.11 -53.04 54.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-O 118.04 -0.981 . . . . 10.0 109.62 177.844 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.4 mp -62.74 -13.75 36.38 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 114.264 1.209 . . . . 10.0 114.264 179.308 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -107.5 4.68 26.38 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.218 1.407 . . . . 10.0 112.157 175.576 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.8 tpt85 -125.05 -29.39 3.33 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.043 1.737 . . . . 10.0 113.305 -179.917 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.7 t -143.16 144.09 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 128.298 2.639 . . . . 10.0 108.655 170.341 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.7 t -73.06 136.46 44.97 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 120.623 -1.298 . . . . 10.0 112.298 177.307 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.89 -24.81 3.87 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.631 1.572 . . . . 10.0 113.323 168.631 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -63.26 -43.13 98.85 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.906 1.23 . . . . 10.0 111.224 169.812 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -73.13 -12.78 61.02 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.222 1.409 . . . . 10.0 112.232 -176.365 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 86.1 mt -105.71 128.11 60.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 C-N-CA 128.119 2.568 . . . . 10.0 109.272 -175.055 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.1 t -73.32 -50.33 31.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 123.542 0.737 . . . . 10.0 109.542 169.294 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -162.11 174.66 12.66 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.399 0.679 . . . . 10.0 112.688 172.058 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.0 pt -133.67 143.04 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 125.273 1.429 . . . . 10.0 110.563 172.554 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -123.38 117.58 25.52 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 108.432 -0.951 . . . . 10.0 108.432 177.689 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.9 mt -131.14 121.75 49.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 108.538 -0.912 . . . . 10.0 108.538 -174.284 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.2 m -119.84 126.87 52.03 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 124.88 1.272 . . . . 10.0 109.1 176.459 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 67.9 t -115.53 130.12 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.122 0 N-CA-C 107.042 -1.466 . . . . 10.0 107.042 169.32 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 72.2 mt -117.68 139.27 51.25 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 124.923 1.289 . . . . 10.0 108.398 172.898 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.8 p -139.1 131.07 36.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 108.421 -0.955 . . . . 10.0 108.421 178.155 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -139.19 155.48 47.79 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.926 1.29 . . . . 10.0 110.415 -169.778 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -142.35 102.34 4.07 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 108.784 -0.821 . . . . 10.0 108.784 175.791 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.2 m -131.7 89.4 2.69 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 120.93 -1.106 . . . . 10.0 109.435 173.914 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.7 t70 63.7 -28.94 0.09 Allowed 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 127.093 2.157 . . . . 10.0 114.205 -168.942 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -129.72 154.65 46.97 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 127.249 2.22 . . . . 10.0 110.149 171.168 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 53.1 tp -85.37 129.21 34.86 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.308 1.843 . . . . 10.0 110.048 177.799 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 56.1 tttm -131.77 142.2 49.69 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.809 1.243 . . . . 10.0 110.406 -178.295 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 86.9 t -136.15 141.24 42.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 125.424 1.49 . . . . 10.0 108.482 176.773 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -137.39 137.45 38.85 Favored 'General case' 0 C--O 1.233 0.237 0 C-N-CA 125.35 1.46 . . . . 10.0 107.871 179.631 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.419 HG21 HD11 ' A' ' 22' ' ' ILE . 30.6 mt -132.1 131.61 61.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 N-CA-C 109.21 -0.663 . . . . 10.0 109.21 179.062 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 65.5 m -131.81 133.16 44.39 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 124.377 1.071 . . . . 10.0 110.303 169.169 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.22 147.54 52.61 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.42 1.088 . . . . 10.0 110.824 177.657 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.93 147.48 48.12 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 125.828 1.651 . . . . 10.0 111.239 -176.64 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -127.84 104.38 7.79 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 125.849 1.66 . . . . 10.0 109.004 -169.865 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -103.57 102.85 12.74 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.095 -1.076 . . . . 10.0 108.095 175.671 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 39.3 mt -88.64 152.1 22.04 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.898 2.079 . . . . 10.0 111.775 -175.267 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -59.46 147.09 37.86 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 121.061 0.458 . . . . 10.0 111.07 169.436 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -67.75 7.6 0.48 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 126.388 1.875 . . . . 10.0 113.323 -177.499 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 93.0 mt -129.37 3.39 5.13 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 127.749 2.42 . . . . 10.0 111.964 178.533 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.6 m -88.83 162.9 15.92 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.943 1.297 . . . . 10.0 111.635 175.339 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -158.01 110.7 2.38 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.298 1.439 . . . . 10.0 107.662 -177.479 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -131.95 -178.47 4.9 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 126.503 1.921 . . . . 10.0 112.631 -172.219 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -85.51 143.71 39.12 Favored Pre-proline 0 CA--C 1.546 0.825 0 O-C-N 120.904 -1.122 . . . . 10.0 112.572 -168.724 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -74.48 46.21 1.38 Allowed 'Trans proline' 0 CA--C 1.547 1.17 1 C-N-CA 125.865 4.377 . . . . 10.0 113.696 -176.257 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.09 13.61 0.02 OUTLIER Glycine 0 CA--C 1.539 1.588 0 C-N-CA 127.067 2.27 . . . . 10.0 114.291 177.007 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.0 tt -63.83 -25.42 38.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-N 118.67 1.235 . . . . 10.0 114.064 -169.252 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.446 ' O ' HG23 ' A' ' 75' ' ' VAL . 7.3 p -86.07 -38.4 12.65 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.184 0 C-N-CA 124.56 1.144 . . . . 10.0 112.259 175.022 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -54.45 -36.5 64.14 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.753 1.221 . . . . 10.0 111.002 174.752 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -63.72 -40.78 97.61 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.584 0.754 . . . . 10.0 111.75 171.793 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.521 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -68.2 -43.18 78.62 Favored 'General case' 0 C--N 1.345 0.375 0 CA-C-N 118.65 0.659 . . . . 10.0 111.672 177.515 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.467 HG12 ' CE2' ' A' ' 79' ' ' TYR . 1.8 t -67.91 -45.26 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 O-C-N 122.043 -0.411 . . . . 10.0 110.508 -179.839 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -58.9 -37.33 76.37 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.114 0.966 . . . . 10.0 112.147 170.85 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.456 ' N ' HH21 ' A' ' 80' ' ' ARG . . . -62.94 -40.57 98.05 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 120.105 -1.622 . . . . 10.0 111.772 172.64 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.09 -43.12 88.2 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 118.524 -0.751 . . . . 10.0 112.67 171.364 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.467 ' CE2' HG12 ' A' ' 75' ' ' VAL . 42.7 m-85 -62.35 -43.03 99.77 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 120.189 1.359 . . . . 10.0 112.541 177.298 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.456 HH21 ' N ' ' A' ' 77' ' ' ALA . 87.5 mtm180 -67.87 -32.17 72.49 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.429 0.692 . . . . 10.0 111.906 174.103 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 40.0 m -70.03 -34.9 73.87 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.318 0.647 . . . . 10.0 112.081 172.589 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -66.34 -46.57 76.35 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.27 1.028 . . . . 10.0 111.012 173.049 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -58.84 -41.27 86.53 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 122.088 -0.382 . . . . 10.0 111.443 173.048 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.2 m -65.55 -36.25 83.25 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.174 0.989 . . . . 10.0 112.304 175.334 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -65.65 -42.2 91.69 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.269 -0.894 . . . . 10.0 111.614 176.545 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.5 mm? . . . . . 0 N--CA 1.47 0.527 0 CA-C-N 119.109 0.868 . . . . 10.0 112.486 175.048 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.9 mt . . . . . 0 CA--C 1.529 0.145 0 CA-C-O 121.575 0.702 . . . . 10.0 110.959 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.9 t -140.15 -168.19 2.48 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.214 1.406 . . . . 10.0 110.172 179.521 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -47.35 -37.5 11.23 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.874 1.67 . . . . 10.0 113.411 -175.791 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.33 -50.71 36.73 Favored Glycine 0 CA--C 1.533 1.177 0 CA-C-N 118.93 0.786 . . . . 10.0 113.6 178.237 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.87 -43.54 98.53 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 118.294 1.047 . . . . 10.0 110.244 178.602 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.3 mp -65.68 -42.56 91.12 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.58 1.152 . . . . 10.0 112.437 177.733 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -61.59 -46.23 90.75 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.398 0.999 . . . . 10.0 111.173 171.55 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -61.77 -44.16 97.44 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 118.77 0.714 . . . . 10.0 111.788 -179.289 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 84.7 mt -65.01 -42.87 95.82 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 122.945 0.498 . . . . 10.0 110.597 174.5 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.0 p -58.93 -38.08 78.14 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 118.974 0.806 . . . . 10.0 112.713 173.744 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.4 t -70.92 -42.15 70.26 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 124.804 1.242 . . . . 10.0 111.175 177.576 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -58.8 -42.63 89.55 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.881 0.764 . . . . 10.0 111.475 172.763 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.8 mt -66.9 -50.19 63.22 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 118.776 -0.63 . . . . 10.0 111.781 176.543 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -57.72 -49.87 75.11 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 119.226 0.921 . . . . 10.0 111.673 177.403 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -61.48 -37.53 83.96 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 118.615 -0.707 . . . . 10.0 111.115 178.528 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.2 m -61.11 -45.82 93.12 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 118.986 0.812 . . . . 10.0 111.832 175.721 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.646 HG23 ' HB1' ' A' ' 74' ' ' ALA . 59.5 mt -64.53 -47.55 88.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 118.878 0.763 . . . . 10.0 110.528 175.556 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.7 m -62.34 -42.77 99.66 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 118.436 0.562 . . . . 10.0 112.315 -178.909 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -65.49 -38.59 90.19 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.483 0.713 . . . . 10.0 111.913 172.085 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -61.32 -45.54 94.01 Favored 'General case' 0 C--N 1.345 0.371 0 CA-C-N 119.046 0.839 . . . . 10.0 111.061 173.232 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 63.6 mt -59.9 -47.69 90.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 118.902 0.774 . . . . 10.0 109.69 177.157 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.79 -26.99 67.67 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.749 1.018 . . . . 10.0 113.749 174.27 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.7 7.25 42.56 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.929 1.085 . . . . 10.0 113.929 171.533 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.82 -38.49 2.73 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.692 1.197 . . . . 10.0 114.151 178.758 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.9 t -148.18 153.27 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 125.682 1.593 . . . . 10.0 109.693 -177.065 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.5 t -84.67 136.49 33.72 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 115.151 1.537 . . . . 10.0 115.151 -169.287 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.02 -24.58 3.88 Favored 'General case' 0 CA--C 1.55 0.944 0 O-C-N 120.921 -1.112 . . . . 10.0 112.929 166.571 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -71.07 -10.22 59.38 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.839 1.422 . . . . 10.0 114.839 174.761 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -129.69 -21.52 3.08 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.532 1.533 . . . . 10.0 112.94 178.436 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.6 mm -70.86 110.74 4.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 N-CA-C 106.745 -1.576 . . . . 10.0 106.745 168.441 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.4 t -68.88 -47.41 76.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 C-N-CA 124.479 1.112 . . . . 10.0 109.718 175.434 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -162.58 177.02 9.8 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.062 0.945 . . . . 10.0 111.558 174.16 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.2 pt -141.07 138.01 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 125.131 1.372 . . . . 10.0 111.475 173.189 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -105.37 123.94 48.72 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 107.375 -1.342 . . . . 10.0 107.375 167.35 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 72.3 mt -131.11 122.6 51.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 N-CA-C 108.142 -1.058 . . . . 10.0 108.142 173.399 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 90.1 m -119.85 126.59 51.35 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 124.698 1.199 . . . . 10.0 109.174 175.752 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 66.8 t -115.45 129.29 71.98 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.097 0 N-CA-C 106.734 -1.58 . . . . 10.0 106.734 169.202 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 74.6 mt -117.68 139.29 51.22 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 125.092 1.357 . . . . 10.0 108.15 174.75 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.6 p -135.33 131.95 52.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 107.41 -1.329 . . . . 10.0 107.41 174.832 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -143.11 156.63 44.84 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.477 1.111 . . . . 10.0 110.488 -167.0 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -137.51 112.4 8.98 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 109.521 -0.548 . . . . 10.0 109.521 -178.065 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 99.4 m -131.84 85.83 2.28 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.153 -0.967 . . . . 10.0 109.481 171.309 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.4 t70 64.63 -35.08 0.17 Allowed 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 127.293 2.237 . . . . 10.0 113.82 -168.593 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -120.78 157.48 29.62 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 127.987 2.515 . . . . 10.0 110.566 170.877 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -85.32 129.13 34.87 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 126.438 1.895 . . . . 10.0 109.506 178.785 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 tmmt? -131.34 150.22 52.24 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.304 1.042 . . . . 10.0 110.647 177.608 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.5 t -132.27 145.05 35.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 125.383 1.473 . . . . 10.0 108.542 177.735 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.48 138.55 49.03 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.936 1.694 . . . . 10.0 107.638 175.382 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.416 HG21 HD11 ' A' ' 22' ' ' ILE . 24.9 mt -132.06 130.68 61.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 N-CA-C 109.025 -0.732 . . . . 10.0 109.025 178.271 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.8 m -131.97 138.24 48.22 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 123.772 0.829 . . . . 10.0 110.703 168.505 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.23 151.19 51.72 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.201 1.0 . . . . 10.0 109.975 172.111 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -141.66 146.05 35.68 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.798 1.239 . . . . 10.0 110.433 173.654 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -120.01 105.76 11.35 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 126.677 1.991 . . . . 10.0 110.324 -167.66 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -92.04 102.92 15.48 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 108.436 -0.95 . . . . 10.0 108.436 174.389 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.8 mt -92.64 151.81 19.9 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 124.813 1.245 . . . . 10.0 111.038 172.052 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -58.95 147.02 35.84 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 121.241 0.543 . . . . 10.0 111.306 169.025 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -69.28 9.85 0.39 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.258 1.423 . . . . 10.0 114.506 -174.745 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.1 mt -124.47 1.3 8.31 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.673 1.989 . . . . 10.0 112.808 179.938 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.4 164.8 12.31 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.298 0.954 . . . . 10.0 112.309 172.258 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -155.44 107.44 2.64 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.156 1.782 . . . . 10.0 107.265 -171.688 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -130.03 -177.36 4.27 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.534 1.934 . . . . 10.0 111.621 -174.673 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -85.23 135.13 39.5 Favored Pre-proline 0 CA--C 1.548 0.89 0 O-C-N 120.719 -1.238 . . . . 10.0 112.394 -166.714 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -74.99 62.4 5.85 Favored 'Trans proline' 0 C--N 1.356 0.943 1 C-N-CA 125.8 4.334 . . . . 10.0 112.786 -169.889 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.1 -8.73 0.03 OUTLIER Glycine 0 CA--C 1.533 1.179 0 C-N-CA 125.013 1.292 . . . . 10.0 115.211 -177.242 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 31.6 mt -53.84 -31.19 20.18 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 CA-C-N 120.051 1.925 . . . . 10.0 113.999 -178.84 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.6 t -60.76 -60.59 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 123.786 0.835 . . . . 10.0 110.029 171.173 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -57.12 -37.36 71.87 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 125.318 1.447 . . . . 10.0 111.311 179.066 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.64 -37.43 87.33 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 118.741 -0.647 . . . . 10.0 110.837 174.392 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.646 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -67.77 -41.75 82.77 Favored 'General case' 0 C--N 1.343 0.322 0 CA-C-N 119.263 0.938 . . . . 10.0 111.151 -179.875 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.569 HG12 ' CE2' ' A' ' 79' ' ' TYR . 2.9 t -72.91 -43.05 60.27 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 122.598 0.359 . . . . 10.0 111.139 179.695 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -58.82 -39.2 80.49 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.28 1.832 . . . . 10.0 112.304 171.971 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.59 -44.69 93.32 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.357 -0.839 . . . . 10.0 111.553 170.509 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.71 -43.49 94.1 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.913 0.778 . . . . 10.0 112.217 173.24 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.569 ' CE2' HG12 ' A' ' 75' ' ' VAL . 37.6 m-85 -62.39 -43.23 99.31 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.847 0.749 . . . . 10.0 112.341 177.226 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 23.1 mtt85 -71.44 -27.07 63.02 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.325 0.966 . . . . 10.0 113.077 173.7 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.7 p -63.19 -42.23 99.31 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 118.811 0.732 . . . . 10.0 110.897 169.486 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.2 tp -67.97 -44.13 77.42 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.075 0.95 . . . . 10.0 111.187 178.668 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -58.8 -41.23 86.28 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.302 1.041 . . . . 10.0 111.343 173.572 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.1 m -72.39 -28.89 63.29 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.025 0.93 . . . . 10.0 112.84 176.204 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -79.16 -42.43 26.16 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.931 0.892 . . . . 10.0 111.618 -177.461 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.2 mm? . . . . . 0 N--CA 1.471 0.618 0 CA-C-N 119.719 1.145 . . . . 10.0 113.307 178.635 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.2 mt . . . . . 0 CA--C 1.534 0.336 0 CA-C-O 121.193 0.52 . . . . 10.0 110.207 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.3 t -149.75 -169.08 3.28 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 126.093 1.757 . . . . 10.0 108.734 -174.894 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.53 21.78 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 129.929 3.292 . . . . 10.0 114.604 -169.299 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -136.07 -56.21 0.06 OUTLIER Glycine 0 CA--C 1.528 0.875 0 C-N-CA 127.289 2.376 . . . . 10.0 110.331 173.808 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -61.74 -41.19 97.34 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.172 0.986 . . . . 10.0 112.727 175.172 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.8 mt -68.57 -36.3 78.56 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.687 -0.633 . . . . 10.0 111.741 176.722 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -67.7 -42.27 82.26 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.24 0.616 . . . . 10.0 111.328 173.661 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -58.74 -44.06 90.4 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.921 0.888 . . . . 10.0 111.408 173.496 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 79.1 mt -67.14 -45.14 87.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-O 118.62 -0.705 . . . . 10.0 111.643 176.187 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.3 m -59.32 -38.17 79.6 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 120.1 1.318 . . . . 10.0 111.731 172.37 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.7 t -66.06 -43.83 86.31 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.178 -0.952 . . . . 10.0 112.025 174.922 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -61.06 -41.12 96.0 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.179 0.992 . . . . 10.0 111.79 174.745 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.5 mt -63.85 -48.72 75.64 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.859 0.864 . . . . 10.0 111.737 174.104 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -58.51 -48.87 79.41 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 118.42 0.554 . . . . 10.0 111.405 176.002 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.15 -37.48 85.38 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-O 118.539 -0.743 . . . . 10.0 111.482 176.65 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.7 m -60.99 -47.17 87.7 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.156 0.889 . . . . 10.0 110.771 178.786 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.586 HG23 ' HB1' ' A' ' 74' ' ' ALA . 65.8 mt -65.66 -43.38 93.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-N 118.382 0.537 . . . . 10.0 110.722 176.206 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.4 t -58.39 -50.92 71.96 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 122.916 0.486 . . . . 10.0 111.956 176.928 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.16 -39.0 77.7 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 112.941 0.719 . . . . 10.0 112.941 171.706 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.488 ' CE1' ' HD3' ' A' ' 29' ' ' ARG . 31.4 t80 -66.82 -45.77 77.25 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.657 0.662 . . . . 10.0 110.946 -179.522 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 87.5 mt -62.34 -47.51 92.71 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 C-N-CA 124.078 0.951 . . . . 10.0 110.361 176.502 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.09 -9.11 19.9 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.694 0.998 . . . . 10.0 113.694 176.713 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.8 mtmt -117.65 18.45 14.18 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.034 1.734 . . . . 10.0 112.087 170.859 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.488 ' HD3' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -120.6 -41.3 2.59 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 127.451 2.3 . . . . 10.0 113.215 168.893 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.4 t -144.25 152.1 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.599 1.56 . . . . 10.0 109.757 -174.08 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.1 t -80.74 136.51 36.17 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 115.336 1.606 . . . . 10.0 115.336 -169.928 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.62 -24.62 3.41 Favored 'General case' 0 CA--C 1.551 0.981 0 O-C-N 120.776 -1.202 . . . . 10.0 112.603 165.314 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -74.82 -11.32 60.12 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 115.043 1.498 . . . . 10.0 115.043 175.073 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -127.22 -22.28 3.76 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.547 1.139 . . . . 10.0 112.522 179.737 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.1 mm -70.88 116.79 13.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 N-CA-C 106.566 -1.642 . . . . 10.0 106.566 167.056 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.2 t -71.29 -49.25 49.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 C-N-CA 123.707 0.803 . . . . 10.0 109.61 170.244 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -163.64 176.12 9.95 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.776 0.831 . . . . 10.0 112.183 171.082 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.7 pt -134.78 142.97 38.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 124.861 1.264 . . . . 10.0 110.564 171.738 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -127.51 116.47 20.44 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 123.992 0.917 . . . . 10.0 108.665 179.39 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.2 mt -131.14 120.06 45.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 N-CA-C 108.671 -0.863 . . . . 10.0 108.671 -173.697 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 41.3 m -119.86 117.24 27.62 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 123.884 0.874 . . . . 10.0 108.728 171.303 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -116.18 117.94 57.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 C-N-CA 125.107 1.363 . . . . 10.0 111.459 172.599 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 mp -116.93 139.24 50.88 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 125.833 1.653 . . . . 10.0 109.775 -171.753 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.7 p -135.47 140.97 43.68 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 124.172 0.989 . . . . 10.0 110.187 -176.821 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -140.14 159.56 41.92 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 127.181 2.192 . . . . 10.0 110.7 -173.036 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -134.09 98.96 4.27 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 105.286 -2.116 . . . . 10.0 105.286 164.815 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 92.3 m -131.62 80.55 1.93 Allowed 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 106.208 -1.775 . . . . 10.0 106.208 -173.329 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.5 t70 60.95 -43.89 0.12 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 127.517 2.327 . . . . 10.0 112.965 -165.735 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -98.31 154.01 18.12 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.823 2.049 . . . . 10.0 109.963 168.037 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.5 tp -85.27 122.34 29.31 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 105.201 -2.148 . . . . 10.0 105.201 165.561 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -135.88 137.36 41.36 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.93 0.395 . . . . 10.0 111.15 -175.781 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.7 p -136.15 137.93 47.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 C-N-CA 125.131 1.372 . . . . 10.0 108.29 177.139 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -136.82 146.31 45.5 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 124.09 0.956 . . . . 10.0 110.905 178.049 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.442 HG21 HD11 ' A' ' 22' ' ' ILE . 17.1 mt -132.0 117.21 32.58 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 124.787 1.235 . . . . 10.0 109.843 -166.97 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.3 t -116.18 125.01 51.71 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 124.359 1.064 . . . . 10.0 108.972 174.592 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.22 141.83 50.08 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.39 1.076 . . . . 10.0 110.693 178.905 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.35 147.51 52.58 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 125.989 1.716 . . . . 10.0 111.137 -176.622 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -126.8 104.4 8.04 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 125.692 1.597 . . . . 10.0 108.746 -169.947 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -103.13 117.46 34.6 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.324 -0.991 . . . . 10.0 108.324 175.89 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 16.8 mt -122.47 151.81 40.93 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 127.231 2.212 . . . . 10.0 110.704 -168.336 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -66.77 146.91 53.94 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 112.66 0.615 . . . . 10.0 112.66 179.099 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.07 -10.79 43.64 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.317 1.447 . . . . 10.0 114.565 -177.869 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.9 mp -104.01 0.09 29.47 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 119.768 1.167 . . . . 10.0 112.444 170.835 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 61.7 p -76.84 169.73 17.78 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.93 0.892 . . . . 10.0 113.264 177.284 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -158.56 106.28 1.89 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.647 1.579 . . . . 10.0 107.993 179.231 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -131.36 173.9 10.61 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.18 1.792 . . . . 10.0 111.713 -177.681 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -85.32 139.73 36.31 Favored Pre-proline 0 CA--C 1.547 0.833 0 O-C-N 121.147 -0.971 . . . . 10.0 113.442 -166.15 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -75.17 48.75 2.12 Favored 'Trans proline' 0 CA--C 1.545 1.058 1 C-N-CA 126.265 4.643 . . . . 10.0 113.416 -172.138 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.05 3.89 0.02 OUTLIER Glycine 0 CA--C 1.537 1.421 0 C-N-CA 127.1 2.286 . . . . 10.0 114.436 -177.677 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.5 tt -63.08 -20.44 25.84 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 CA-C-N 119.792 1.796 . . . . 10.0 114.328 -174.599 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.8 p -86.0 -32.73 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 C-N-CA 124.665 1.186 . . . . 10.0 112.695 169.773 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.24 -36.09 76.96 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 119.095 0.861 . . . . 10.0 110.158 171.538 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -63.64 -40.75 97.66 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 119.059 -0.496 . . . . 10.0 110.54 171.246 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.586 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -68.1 -43.8 77.68 Favored 'General case' 0 C--N 1.343 0.324 0 CA-C-N 119.35 0.977 . . . . 10.0 112.416 -177.359 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.536 HG12 ' CE2' ' A' ' 79' ' ' TYR . 9.2 t -72.21 -40.73 66.18 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-O 118.873 -0.584 . . . . 10.0 110.517 -179.849 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -58.68 -42.81 89.39 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.64 1.176 . . . . 10.0 111.754 170.114 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.23 -40.08 96.44 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 118.745 -0.645 . . . . 10.0 111.968 173.912 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.8 -44.8 95.2 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.26 0.936 . . . . 10.0 112.315 172.637 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.536 ' CE2' HG12 ' A' ' 75' ' ' VAL . 47.6 m-85 -61.65 -43.14 99.42 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 118.953 0.797 . . . . 10.0 112.242 176.103 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 75.8 mtt-85 -72.18 -36.02 69.13 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.693 -0.63 . . . . 10.0 112.348 177.966 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 42.2 t -63.01 -43.5 98.57 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 123.831 0.852 . . . . 10.0 109.958 173.383 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 46.3 tp -66.15 -47.61 73.46 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-O 118.478 -0.772 . . . . 10.0 112.594 -178.911 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -73.3 -28.15 61.93 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 119.431 1.014 . . . . 10.0 110.765 -178.698 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.2 m -63.98 -50.21 69.44 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.222 0.464 . . . . 10.0 110.644 169.25 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -60.68 -36.45 78.78 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.206 1.003 . . . . 10.0 112.505 177.858 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 CA--C 1.542 0.66 0 CA-C-O 117.52 -1.229 . . . . 10.0 113.796 173.219 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ptt? . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 119.21 -0.424 . . . . 10.0 110.938 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -151.43 37.58 0.6 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.61 1.164 . . . . 10.0 111.828 -170.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -114.38 -153.78 0.53 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.596 1.558 . . . . 10.0 111.885 -173.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -120.18 169.94 9.78 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 126.819 2.048 . . . . 10.0 111.146 -175.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -67.39 113.91 5.65 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 108.221 -1.029 . . . . 10.0 108.221 175.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 86.3 mt -74.48 106.89 6.29 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.162 0.506 . . . . 10.0 110.916 -168.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.5 t -128.91 -171.22 2.42 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.215 1.406 . . . . 10.0 109.54 170.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -42.94 -45.25 4.94 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.922 1.689 . . . . 10.0 112.825 -175.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.46 -56.66 22.07 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 123.719 0.676 . . . . 10.0 113.245 178.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.44 -42.22 98.67 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.333 1.053 . . . . 10.0 110.299 -177.235 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.3 mt -67.93 -40.28 83.37 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.561 1.144 . . . . 10.0 110.74 -178.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . 0.308 6.3 m-20 -70.32 -35.36 73.58 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 115.51 1.67 . . . . 10.0 115.51 168.327 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -54.89 -42.14 71.77 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 121.135 1.789 . . . . 10.0 110.348 169.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 83.5 mt -68.18 -44.62 84.09 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 CA-C-O 118.288 -0.863 . . . . 10.0 112.091 171.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 p -58.81 -40.63 84.64 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 120.34 1.427 . . . . 10.0 111.595 177.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.6 t -68.6 -43.95 75.38 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.648 1.579 . . . . 10.0 111.688 175.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -60.01 -42.37 94.16 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 118.692 0.678 . . . . 10.0 111.845 174.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.0 mt -65.61 -46.9 77.56 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.814 0.846 . . . . 10.0 111.805 175.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -58.31 -49.05 78.54 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 118.742 0.701 . . . . 10.0 111.904 176.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.69 -40.29 91.66 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-O 118.714 -0.66 . . . . 10.0 111.192 174.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.3 m -60.93 -45.3 95.22 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 118.843 0.747 . . . . 10.0 110.81 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.532 HG23 ' HB1' ' A' ' 74' ' ' ALA . 57.3 mt -66.15 -46.45 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 118.934 0.788 . . . . 10.0 111.072 174.213 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.3 t -60.57 -50.46 73.43 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.623 0.647 . . . . 10.0 112.085 -177.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -63.79 -35.27 80.05 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.098 0.959 . . . . 10.0 111.865 175.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.466 ' CE1' ' HD3' ' A' ' 29' ' ' ARG . 22.9 t80 -65.42 -45.0 85.59 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.439 -0.788 . . . . 10.0 111.949 172.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.6 mt -60.05 -45.08 96.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 O-C-N 121.029 -1.044 . . . . 10.0 109.348 174.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.6 mp -64.07 -27.41 69.08 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.794 1.035 . . . . 10.0 113.794 175.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.8 ptmt -86.85 6.61 30.95 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 119.935 1.243 . . . . 10.0 113.381 169.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.466 ' HD3' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -113.7 -48.84 2.91 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 126.148 1.779 . . . . 10.0 113.316 174.109 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.5 p -151.56 146.07 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 125.021 1.329 . . . . 10.0 110.107 -178.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.0 t -68.36 136.96 54.18 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 114.403 1.26 . . . . 10.0 114.403 -169.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.62 -24.43 3.28 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.433 1.493 . . . . 10.0 112.891 168.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -91.92 -9.91 41.46 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 114.577 1.325 . . . . 10.0 114.577 175.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -92.69 -20.26 20.99 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 125.41 1.484 . . . . 10.0 111.383 169.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.9 mt -79.54 128.41 38.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 130.99 3.716 . . . . 10.0 110.891 172.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 23.4 t -74.06 -50.62 27.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 123.968 0.907 . . . . 10.0 108.937 166.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -162.45 174.56 12.55 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.144 0.794 . . . . 10.0 113.144 170.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.4 pt -132.16 141.87 44.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 125.35 1.46 . . . . 10.0 110.156 170.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -127.43 111.1 13.46 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 124.231 1.012 . . . . 10.0 108.352 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.4 mt -129.44 118.86 46.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 109.046 -0.724 . . . . 10.0 109.046 -173.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.0 m -119.77 117.98 29.65 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 124.751 1.221 . . . . 10.0 108.378 175.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 68.0 t -106.58 125.57 62.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 N-CA-C 107.224 -1.399 . . . . 10.0 107.224 173.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.1 mp -117.67 139.02 51.58 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.494 1.118 . . . . 10.0 108.533 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.6 p -139.66 134.87 39.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 108.444 -0.947 . . . . 10.0 108.444 176.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -143.86 157.42 44.38 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 124.146 0.978 . . . . 10.0 110.281 -169.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -139.87 108.19 5.82 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 109.589 -0.522 . . . . 10.0 109.589 177.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.36 80.58 1.94 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.819 1.248 . . . . 10.0 108.9 178.052 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.0 t70 62.74 -43.89 0.19 Allowed 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 127.409 2.283 . . . . 10.0 112.79 -167.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -106.56 159.68 16.0 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 127.018 2.127 . . . . 10.0 111.097 167.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 tt -93.05 129.39 39.01 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.575 1.95 . . . . 10.0 109.894 -175.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -121.57 141.37 51.15 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.369 0.668 . . . . 10.0 111.605 173.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.8 t -136.05 124.88 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 N-CA-C 106.408 -1.701 . . . . 10.0 106.408 172.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -133.23 125.52 29.55 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 124.561 1.145 . . . . 10.0 108.226 -173.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.487 HG21 HD11 ' A' ' 22' ' ' ILE . 37.9 mt -120.93 123.73 70.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 N-CA-C 108.259 -1.015 . . . . 10.0 108.259 -172.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 27.7 t -122.93 122.2 38.01 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 124.52 1.128 . . . . 10.0 108.904 176.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.25 139.91 49.74 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.024 0.93 . . . . 10.0 110.635 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -129.19 139.19 51.99 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 126.555 1.942 . . . . 10.0 109.278 175.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -128.13 112.73 14.88 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 125.631 1.572 . . . . 10.0 107.84 -172.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -113.96 102.89 10.62 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 108.649 -0.871 . . . . 10.0 108.649 -175.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.3 mt -85.12 152.07 23.66 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 126.105 1.762 . . . . 10.0 111.391 176.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -58.25 147.32 31.01 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.873 0.694 . . . . 10.0 112.873 171.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -68.5 41.12 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 128.77 2.828 . . . . 10.0 112.718 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.0 tt -160.58 -32.92 0.05 Allowed 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 128.71 2.804 . . . . 10.0 110.973 -169.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.5 m -64.96 162.1 17.22 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.738 1.615 . . . . 10.0 112.099 173.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -155.55 116.43 3.87 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.679 1.592 . . . . 10.0 106.867 -177.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -137.75 -176.58 4.47 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.713 2.005 . . . . 10.0 112.065 -173.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -85.29 143.81 39.83 Favored Pre-proline 0 CA--C 1.547 0.862 0 O-C-N 120.949 -1.094 . . . . 10.0 113.158 -166.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -74.74 51.51 2.71 Favored 'Trans proline' 0 CA--C 1.545 1.064 1 C-N-CA 126.079 4.519 . . . . 10.0 113.208 -174.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.01 -3.08 0.03 OUTLIER Glycine 0 CA--C 1.537 1.417 0 C-N-CA 127.323 2.392 . . . . 10.0 114.348 -177.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.9 tt -57.63 -25.81 25.7 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 N-CA-C 115.17 1.544 . . . . 10.0 115.17 -169.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.8 t -80.08 -51.33 16.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 124.975 1.31 . . . . 10.0 110.411 174.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -54.33 -36.08 63.39 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 125.614 1.566 . . . . 10.0 111.519 177.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -63.38 -36.48 83.85 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 122.843 0.457 . . . . 10.0 110.444 175.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.532 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -70.85 -41.87 70.89 Favored 'General case' 0 C--N 1.342 0.246 0 CA-C-N 119.083 0.856 . . . . 10.0 111.349 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.456 HG12 ' CE2' ' A' ' 79' ' ' TYR . 1.3 t -69.24 -45.99 78.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-O 119.264 -0.398 . . . . 10.0 110.087 -179.349 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -58.7 -42.48 88.71 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.121 1.368 . . . . 10.0 111.865 172.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.51 -41.07 98.53 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.691 0.678 . . . . 10.0 111.1 175.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.38 -44.79 93.73 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 118.135 -0.936 . . . . 10.0 112.168 172.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.456 ' CE2' HG12 ' A' ' 75' ' ' VAL . 45.5 m-85 -65.33 -43.82 89.71 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.949 1.249 . . . . 10.0 112.032 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 45.9 mtm180 -72.79 -35.18 67.34 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.192 0.812 . . . . 10.0 113.192 178.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 21.9 t -67.11 -32.56 73.78 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 118.03 -0.986 . . . . 10.0 111.888 171.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -67.41 -46.21 73.87 Favored 'General case' 0 C--N 1.34 0.184 0 CA-C-N 119.275 0.943 . . . . 10.0 110.652 171.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -59.02 -41.17 87.12 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 118.588 -0.72 . . . . 10.0 111.901 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.1 t -78.9 -32.74 45.86 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.313 0.961 . . . . 10.0 113.053 175.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -58.85 -39.17 80.51 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 119.697 -1.877 . . . . 10.0 111.425 169.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.47 -22.0 61.87 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 116.713 -1.613 . . . . 10.0 114.002 170.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . 0.252 0.4 OUTLIER -58.41 -28.36 65.15 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 121.466 1.939 . . . . 10.0 110.813 168.936 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -67.77 -4.65 34.34 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 124.282 0.944 . . . . 10.0 115.3 170.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -134.79 -31.56 1.03 Allowed 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 119.118 1.459 . . . . 10.0 114.614 -178.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -117.21 -17.14 10.29 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.871 1.668 . . . . 10.0 113.249 -174.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 . . . . . 0 C--O 1.251 1.182 0 CA-C-O 115.41 -2.233 . . . . 10.0 112.482 -171.614 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.9 ptp . . . . . 0 N--CA 1.483 1.202 0 CA-C-O 118.186 -0.911 . . . . 10.0 110.009 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m 47.71 37.02 6.28 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 114.936 1.458 . . . . 10.0 114.936 170.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 67.1 mt -61.53 164.89 5.36 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.753 1.621 . . . . 10.0 112.754 -174.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -118.34 170.81 8.6 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.958 1.303 . . . . 10.0 112.745 -168.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -66.12 114.82 5.54 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 106.878 -1.527 . . . . 10.0 106.878 169.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 78.0 mt -74.55 114.46 12.99 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.255 0.55 . . . . 10.0 110.935 -168.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.0 t -135.35 -168.72 2.24 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.323 1.449 . . . . 10.0 110.158 175.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -47.12 -43.75 20.93 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.423 1.489 . . . . 10.0 112.626 -174.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.45 -49.13 76.73 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 123.543 0.592 . . . . 10.0 113.58 178.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.41 -42.29 88.04 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 117.86 0.83 . . . . 10.0 111.001 177.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.3 mp -62.04 -40.58 96.21 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.021 0.929 . . . . 10.0 113.136 175.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -66.2 -46.06 78.61 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 119.355 0.98 . . . . 10.0 111.734 170.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -44.33 96.95 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 118.544 0.611 . . . . 10.0 111.73 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 75.1 mt -66.95 -42.43 88.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 123.743 0.817 . . . . 10.0 110.206 177.041 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.8 m -61.66 -40.68 95.77 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.698 -0.626 . . . . 10.0 111.346 177.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 t -68.51 -40.69 80.73 Favored 'General case' 0 C--N 1.341 0.233 0 CA-C-O 118.168 -0.92 . . . . 10.0 112.377 172.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -59.57 -41.2 89.66 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 119.657 1.117 . . . . 10.0 111.509 176.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.1 mt -66.81 -49.43 65.84 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.704 0.801 . . . . 10.0 111.856 174.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -56.34 -48.85 75.91 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.767 0.712 . . . . 10.0 111.583 174.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -62.15 -37.79 86.54 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.658 0.783 . . . . 10.0 111.524 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 95.1 m -61.11 -46.49 90.37 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.291 0.95 . . . . 10.0 111.173 176.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.517 HG23 ' HB1' ' A' ' 74' ' ' ALA . 39.7 mt -65.93 -43.79 92.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-N 118.314 0.506 . . . . 10.0 110.607 175.232 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.4 t -57.22 -50.96 71.23 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.73 0.812 . . . . 10.0 111.953 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.26 -38.87 77.77 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 114.862 1.43 . . . . 10.0 114.862 169.689 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -67.33 -45.5 76.25 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.574 1.079 . . . . 10.0 110.484 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 60.3 mt -60.02 -49.66 83.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 124.064 0.946 . . . . 10.0 110.363 174.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.07 -21.27 64.81 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 114.101 1.148 . . . . 10.0 114.101 177.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -101.63 10.65 39.97 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.86 1.264 . . . . 10.0 112.728 173.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -119.57 -37.82 3.09 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.361 1.464 . . . . 10.0 113.749 171.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.1 t -147.0 147.79 17.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 125.395 1.478 . . . . 10.0 109.905 178.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.6 t -73.66 136.94 43.86 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 113.879 1.066 . . . . 10.0 113.879 -177.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.78 -24.34 3.39 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.005 1.322 . . . . 10.0 113.022 167.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -87.07 -2.46 58.65 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.803 1.409 . . . . 10.0 114.803 173.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -108.14 -28.23 9.63 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 126.282 1.833 . . . . 10.0 110.582 172.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 90.1 mt -75.9 128.29 37.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 C-N-CA 127.793 2.437 . . . . 10.0 110.359 169.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 36.5 t -72.59 -52.45 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 C-N-CA 123.58 0.752 . . . . 10.0 109.331 168.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -164.71 177.03 8.3 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.865 0.866 . . . . 10.0 112.123 172.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 15.0 pt -135.24 129.5 50.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 125.523 1.529 . . . . 10.0 110.906 175.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -98.95 118.81 36.56 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 108.221 -1.029 . . . . 10.0 108.221 168.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 57.1 mt -131.19 124.46 55.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 N-CA-C 108.453 -0.943 . . . . 10.0 108.453 172.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 52.7 m -119.73 120.28 36.11 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 125.924 1.69 . . . . 10.0 107.765 175.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.2 t -115.49 120.24 64.15 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.145 0 N-CA-C 107.322 -1.362 . . . . 10.0 107.322 171.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -117.84 139.25 51.37 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 124.99 1.316 . . . . 10.0 108.936 179.516 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.4 p -133.89 139.46 48.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 C-N-CA 123.435 0.694 . . . . 10.0 109.308 177.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.9 158.05 43.94 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.238 1.415 . . . . 10.0 110.223 -168.312 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -142.33 100.9 3.8 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.453 0.701 . . . . 10.0 109.651 174.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.9 t -131.1 82.5 2.05 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.899 1.28 . . . . 10.0 108.553 -178.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.7 t70 66.7 -44.61 0.44 Allowed 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 128.2 2.6 . . . . 10.0 112.494 -167.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -107.53 157.78 17.75 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.133 1.773 . . . . 10.0 110.672 168.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.9 tt -85.27 129.06 34.89 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.034 1.333 . . . . 10.0 108.059 173.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -131.26 147.1 52.55 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.693 0.797 . . . . 10.0 110.993 -179.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 67.9 t -136.04 135.06 50.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 C-N-CA 124.899 1.28 . . . . 10.0 108.451 176.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -108.29 140.94 40.82 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 107.313 -1.366 . . . . 10.0 107.313 166.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.1 mt -131.63 110.09 16.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 N-CA-C 105.517 -2.031 . . . . 10.0 105.517 169.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 56.4 m -120.78 121.67 38.68 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 107.546 -1.279 . . . . 10.0 107.546 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.45 149.63 52.46 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.05 0.94 . . . . 10.0 111.988 -177.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.95 147.4 35.16 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.654 1.582 . . . . 10.0 110.408 172.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 54.9 tp -127.97 104.28 7.71 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.622 1.569 . . . . 10.0 110.148 -169.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -96.64 102.86 14.72 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 108.968 -0.753 . . . . 10.0 108.968 -177.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 45.3 mt -85.61 151.9 23.54 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.434 1.094 . . . . 10.0 111.27 174.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.417 ' C ' ' H ' ' A' ' 63' ' ' LEU . 26.0 t0 -59.05 147.15 35.8 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 112.147 0.425 . . . . 10.0 112.147 170.348 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -67.46 19.74 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.751 2.02 . . . . 10.0 113.896 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.417 ' H ' ' C ' ' A' ' 61' ' ' ASP . 14.1 tp -137.62 6.35 2.72 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 128.39 2.676 . . . . 10.0 111.457 -177.398 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.0 m -127.42 139.26 52.95 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.97 1.308 . . . . 10.0 111.605 -174.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -138.34 94.32 2.85 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.583 1.553 . . . . 10.0 110.13 -170.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.57 -173.92 3.92 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.952 1.701 . . . . 10.0 112.267 172.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -85.37 146.04 43.83 Favored Pre-proline 0 CA--C 1.548 0.878 0 O-C-N 121.044 -1.035 . . . . 10.0 111.559 -170.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -73.21 44.16 0.81 Allowed 'Trans proline' 0 CA--C 1.547 1.15 1 C-N-CA 126.209 4.606 . . . . 10.0 114.645 -169.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.14 9.93 0.02 OUTLIER Glycine 0 CA--C 1.537 1.45 0 C-N-CA 127.058 2.266 . . . . 10.0 114.141 177.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.8 tt -62.17 -23.12 30.92 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 CA-C-N 119.461 1.63 . . . . 10.0 114.696 -169.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.2 p -86.07 -30.14 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 124.189 0.995 . . . . 10.0 113.039 170.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -59.99 -36.06 76.38 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.642 1.11 . . . . 10.0 110.525 173.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -63.67 -36.69 84.68 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.17 0.588 . . . . 10.0 111.275 171.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.517 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -67.46 -43.12 81.8 Favored 'General case' 0 C--N 1.344 0.352 0 CA-C-N 119.011 0.823 . . . . 10.0 111.802 176.397 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.495 HG12 ' CE2' ' A' ' 79' ' ' TYR . 1.8 t -69.66 -41.31 80.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-O 118.324 -0.846 . . . . 10.0 110.82 178.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -58.73 -42.23 88.28 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 119.692 1.133 . . . . 10.0 111.512 170.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.81 -39.7 95.08 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.832 0.742 . . . . 10.0 111.323 177.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.12 -43.36 87.38 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.107 0.781 . . . . 10.0 113.107 171.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.495 ' CE2' HG12 ' A' ' 75' ' ' VAL . 39.2 m-85 -63.94 -43.36 96.12 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.55 1.068 . . . . 10.0 111.963 178.003 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 -72.58 -30.35 64.31 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.792 0.837 . . . . 10.0 112.342 177.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 48.5 t -63.13 -45.88 89.87 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 121.807 -0.558 . . . . 10.0 110.376 168.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -62.97 -43.11 99.68 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.659 0.784 . . . . 10.0 111.499 176.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -58.81 -41.21 86.25 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.542 1.137 . . . . 10.0 111.165 175.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.7 t -78.3 -17.91 55.97 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.423 1.268 . . . . 10.0 114.423 174.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -79.98 -36.34 36.2 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.878 1.271 . . . . 10.0 110.964 176.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.75 6.14 2.71 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.826 1.251 . . . . 10.0 113.058 177.276 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -45.87 -32.23 2.53 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 127.463 2.305 . . . . 10.0 112.716 167.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -104.91 21.82 35.12 Favored Glycine 0 CA--C 1.536 1.352 0 CA-C-O 119.009 -0.884 . . . . 10.0 114.252 176.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -142.06 -23.73 0.69 Allowed 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 115.18 1.548 . . . . 10.0 115.18 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 -121.1 -6.81 9.45 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 114.904 1.446 . . . . 10.0 114.904 -171.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 . . . . . 0 C--O 1.254 1.305 0 C-N-CA 126.19 1.796 . . . . 10.0 110.378 169.513 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.9 mtt . . . . . 0 N--CA 1.482 1.169 0 N-CA-C 109.684 -0.487 . . . . 10.0 109.684 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.4 m -166.45 136.63 3.27 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.555 1.142 . . . . 10.0 109.736 169.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 77.3 mt -61.33 162.15 8.17 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.631 0.772 . . . . 10.0 110.906 170.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -114.8 -156.47 0.6 Allowed 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.942 1.297 . . . . 10.0 109.184 -179.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -56.83 113.9 1.85 Allowed 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 108.344 -0.984 . . . . 10.0 108.344 169.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 73.2 mt -74.7 105.89 6.0 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 108.313 -0.995 . . . . 10.0 108.313 -176.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.6 t -153.41 -172.72 4.32 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 126.997 2.119 . . . . 10.0 107.959 -175.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -40.92 -47.19 2.94 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.987 1.715 . . . . 10.0 113.211 -177.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.8 -59.49 9.11 Favored Glycine 0 CA--C 1.535 1.342 0 CA-C-N 119.07 0.85 . . . . 10.0 114.609 178.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.53 -42.65 99.13 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 117.796 0.798 . . . . 10.0 111.226 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.0 mt -70.15 -39.35 75.4 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-O 118.666 -0.683 . . . . 10.0 112.123 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -62.24 -46.13 90.23 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 119.354 0.979 . . . . 10.0 111.296 171.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -62.51 -37.86 87.69 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.113 0.869 . . . . 10.0 112.137 176.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.9 mt -64.7 -39.68 86.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 O-C-N 120.85 -1.156 . . . . 10.0 110.347 172.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.0 p -59.58 -38.33 80.9 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.494 1.043 . . . . 10.0 112.58 171.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.18 -43.86 90.32 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 125.271 1.428 . . . . 10.0 111.36 174.086 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -60.19 -42.6 95.41 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.671 0.788 . . . . 10.0 111.477 174.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.1 mt -65.18 -49.7 68.79 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.635 0.774 . . . . 10.0 111.819 175.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.7 t-160 -59.03 -44.71 91.79 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.955 0.902 . . . . 10.0 111.928 179.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -63.19 -43.4 98.3 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 118.65 -0.69 . . . . 10.0 111.473 172.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.2 m -61.05 -46.68 89.71 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.292 0.951 . . . . 10.0 111.812 -178.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.535 HG23 ' HB1' ' A' ' 74' ' ' ALA . 57.4 mt -64.13 -44.2 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 CA-C-N 118.232 0.469 . . . . 10.0 110.34 175.169 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.7 m -60.17 -47.57 85.38 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.219 0.608 . . . . 10.0 111.784 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -63.73 -38.63 91.82 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.022 0.929 . . . . 10.0 111.595 175.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.422 ' HA ' ' HG2' ' A' ' 28' ' ' LYS . 26.7 t80 -63.52 -45.43 90.65 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 118.921 0.782 . . . . 10.0 111.762 174.549 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 54.3 mt -59.89 -49.41 84.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 C-N-CA 123.583 0.753 . . . . 10.0 109.323 175.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.61 -28.55 69.97 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.747 1.017 . . . . 10.0 113.747 176.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.422 ' HG2' ' HA ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -84.5 0.27 50.38 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 119.882 1.219 . . . . 10.0 113.631 171.736 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -116.12 -37.98 3.71 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.041 1.336 . . . . 10.0 114.449 177.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.4 p -148.02 149.41 15.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.083 1.353 . . . . 10.0 110.788 -170.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.3 t -88.16 136.51 32.94 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 115.782 1.771 . . . . 10.0 115.782 -168.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.69 -24.28 3.25 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.003 1.321 . . . . 10.0 113.162 167.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.0 -16.02 61.08 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 115.064 1.505 . . . . 10.0 115.064 173.452 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -115.65 -25.32 7.89 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.384 1.474 . . . . 10.0 111.876 177.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.4 mm -73.01 121.04 22.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 124.57 1.148 . . . . 10.0 108.644 167.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.2 t -72.55 -49.4 41.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 C-N-CA 123.554 0.742 . . . . 10.0 109.419 168.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -161.67 175.56 11.9 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.352 0.871 . . . . 10.0 113.352 173.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.2 pt -133.09 143.16 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 C-N-CA 125.733 1.613 . . . . 10.0 110.884 170.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -123.34 130.83 53.28 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 106.096 -1.816 . . . . 10.0 106.096 167.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 47.6 mt -131.22 123.43 53.36 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.267 0 N-CA-C 106.893 -1.521 . . . . 10.0 106.893 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.2 m -119.66 117.51 28.48 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 107.676 -1.231 . . . . 10.0 107.676 -174.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.2 t -115.75 129.63 71.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 N-CA-C 108.146 -1.057 . . . . 10.0 108.146 175.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -115.56 133.98 55.51 Favored 'General case' 0 C--N 1.334 -0.098 0 N-CA-C 107.8 -1.185 . . . . 10.0 107.8 171.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.4 p -139.96 132.96 35.15 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 123.442 0.697 . . . . 10.0 110.491 177.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -153.26 160.23 42.72 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.013 0.925 . . . . 10.0 111.79 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -127.47 108.94 11.25 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.169 0.588 . . . . 10.0 109.822 174.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.5 t -131.29 80.7 1.95 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.919 1.288 . . . . 10.0 108.474 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 59.97 -36.94 0.08 Allowed 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 128.445 2.698 . . . . 10.0 114.347 -166.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -108.02 156.52 19.15 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 129.029 2.931 . . . . 10.0 109.321 168.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.6 tp -85.33 129.11 34.88 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.382 1.073 . . . . 10.0 109.58 171.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -117.69 126.98 53.46 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 108.641 -0.874 . . . . 10.0 108.641 169.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.5 p -136.27 123.52 33.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 C-N-CA 124.664 1.186 . . . . 10.0 108.002 169.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -136.62 136.71 39.41 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 124.698 1.199 . . . . 10.0 108.671 -169.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 51.9 mt -132.18 135.82 57.54 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 C-N-CA 123.916 0.887 . . . . 10.0 110.131 -168.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.5 t -131.11 139.4 49.83 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 125.233 1.413 . . . . 10.0 108.005 167.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.23 138.32 49.29 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 121.599 0.714 . . . . 10.0 109.506 170.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -126.76 128.93 47.39 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 126.353 1.861 . . . . 10.0 107.44 -172.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 50.7 tp -127.84 117.0 21.02 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 124.356 1.062 . . . . 10.0 108.939 -170.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -113.63 106.96 15.14 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.23 -0.656 . . . . 10.0 109.23 -171.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -82.27 151.86 26.6 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.815 1.646 . . . . 10.0 111.962 176.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -61.07 147.39 43.96 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.01 167.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -64.94 4.43 0.44 Allowed 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.7 1.37 . . . . 10.0 114.7 -178.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 86.3 mt -126.06 21.86 7.39 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 127.909 2.484 . . . . 10.0 111.64 175.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 65.5 m -148.79 160.28 43.36 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 120.118 -1.614 . . . . 10.0 112.774 172.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -158.89 103.25 1.69 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.509 1.124 . . . . 10.0 109.503 -169.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.57 -174.38 1.1 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.62 1.568 . . . . 10.0 113.45 176.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -85.26 143.65 39.63 Favored Pre-proline 0 CA--C 1.547 0.858 0 O-C-N 120.59 -1.319 . . . . 10.0 111.742 -170.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -73.56 60.63 4.26 Favored 'Trans proline' 0 CA--C 1.544 1.013 1 C-N-CA 125.811 4.341 . . . . 10.0 113.237 -171.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 166.51 -9.36 0.06 OUTLIER Glycine 0 CA--C 1.535 1.342 0 C-N-CA 126.407 1.956 . . . . 10.0 114.297 -177.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.1 tt -55.09 -27.88 20.13 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 C-N-CA 125.759 1.623 . . . . 10.0 114.835 -172.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 79.5 t -78.79 -51.55 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 125.612 1.565 . . . . 10.0 110.856 174.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -53.68 -37.72 63.49 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.279 1.032 . . . . 10.0 111.323 175.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -63.77 -38.6 91.69 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 119.035 -0.507 . . . . 10.0 111.953 171.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.535 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -68.29 -41.5 80.86 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 119.367 0.985 . . . . 10.0 111.441 178.684 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.47 HG12 ' CE2' ' A' ' 79' ' ' TYR . 12.0 t -71.33 -41.2 74.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 CA-C-O 118.699 -0.667 . . . . 10.0 110.728 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -58.73 -42.93 89.92 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.81 1.244 . . . . 10.0 111.672 169.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.91 -39.38 94.37 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 118.88 -0.581 . . . . 10.0 111.105 175.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.14 -45.01 90.4 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.003 0.819 . . . . 10.0 112.508 170.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.47 ' CE2' HG12 ' A' ' 75' ' ' VAL . 36.3 m-85 -65.43 -43.66 89.78 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.468 1.031 . . . . 10.0 112.43 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 47.4 mtm180 -72.77 -29.35 63.23 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 113.391 0.886 . . . . 10.0 113.391 176.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.8 m -67.17 -43.05 83.21 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 118.464 0.575 . . . . 10.0 110.804 169.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 40.3 tp -63.46 -44.72 93.65 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 123.622 0.769 . . . . 10.0 111.835 175.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -61.09 -41.6 96.96 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.108 0.563 . . . . 10.0 111.156 175.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -68.15 -35.95 78.89 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.672 0.789 . . . . 10.0 112.179 177.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -70.12 -42.29 72.83 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.938 1.295 . . . . 10.0 111.367 174.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.0 tp -72.44 -31.88 65.84 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 118.639 0.654 . . . . 10.0 111.695 -179.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -57.63 -19.81 28.86 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.517 0.727 . . . . 10.0 112.023 167.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -91.17 -3.75 69.5 Favored Glycine 0 CA--C 1.534 1.226 0 CA-C-O 118.625 -1.097 . . . . 10.0 114.429 174.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -138.51 -8.24 1.47 Allowed 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 115.474 1.657 . . . . 10.0 115.474 -173.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -137.26 -36.54 0.65 Allowed 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 114.807 1.41 . . . . 10.0 114.807 176.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 . . . . . 0 C--O 1.255 1.349 0 CA-C-O 116.997 -1.478 . . . . 10.0 112.273 -167.597 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.482 1.171 0 CA-C-O 119.279 -0.391 . . . . 10.0 110.801 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.0 t -142.42 35.09 1.47 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.964 1.306 . . . . 10.0 111.754 177.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.432 HD13 ' CE2' ' A' ' 89' ' ' PHE . 79.7 mt -67.6 170.58 7.48 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.574 1.55 . . . . 10.0 112.902 -175.203 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -125.41 178.48 5.59 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.73 1.212 . . . . 10.0 113.061 -167.519 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -60.74 116.65 4.57 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.346 1.058 . . . . 10.0 108.871 169.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.429 ' H ' HD12 ' A' ' 6' ' ' LEU . 4.9 mp -74.55 121.02 20.91 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.322 0.582 . . . . 10.0 111.168 -168.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.5 t -140.33 -170.82 3.07 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.122 1.369 . . . . 10.0 110.078 169.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -46.77 -39.09 11.1 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.838 1.655 . . . . 10.0 113.498 -175.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.46 -45.07 91.86 Favored Glycine 0 CA--C 1.533 1.211 0 CA-C-O 119.299 -0.723 . . . . 10.0 113.701 176.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.67 -40.31 80.22 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 118.61 1.205 . . . . 10.0 111.275 176.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.2 mp -64.88 -38.82 92.25 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 117.783 -1.103 . . . . 10.0 112.203 175.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -67.04 -46.19 75.14 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 120.109 1.322 . . . . 10.0 110.088 168.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -55.06 -43.88 74.25 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 120.273 1.397 . . . . 10.0 111.173 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.3 mt -68.66 -49.15 67.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 124.098 0.959 . . . . 10.0 111.418 174.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.2 t -60.03 -45.83 91.52 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.768 1.167 . . . . 10.0 112.709 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.2 m -66.32 -40.9 90.23 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.395 1.878 . . . . 10.0 111.452 175.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -61.23 -41.83 97.55 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.562 1.074 . . . . 10.0 112.457 171.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.0 mt -65.91 -44.59 84.73 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.524 0.73 . . . . 10.0 111.44 175.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -58.02 -48.66 79.4 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.263 0.625 . . . . 10.0 111.304 174.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.6 -41.49 94.84 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-O 118.817 -0.611 . . . . 10.0 111.769 172.519 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 94.4 m -60.99 -43.55 98.7 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.474 1.034 . . . . 10.0 111.014 -176.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 54.7 mt -69.86 -48.33 64.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 118.259 0.482 . . . . 10.0 111.029 173.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.8 t -60.69 -47.23 87.17 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 118.553 0.615 . . . . 10.0 112.141 -175.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -65.39 -38.74 90.9 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 118.138 -0.934 . . . . 10.0 111.863 173.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -59.51 -45.7 90.95 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 120.274 1.397 . . . . 10.0 110.699 173.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 46.4 mt -61.94 -52.89 55.08 Favored 'Isoleucine or valine' 0 C--N 1.342 0.242 0 CA-C-O 118.001 -1.0 . . . . 10.0 109.581 177.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -59.08 -32.45 69.8 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.714 1.143 . . . . 10.0 113.382 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -85.04 -2.66 58.24 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.591 1.157 . . . . 10.0 113.457 176.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -117.85 -33.18 4.57 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.366 1.466 . . . . 10.0 113.013 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 43.5 t -140.33 129.29 26.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 126.601 1.96 . . . . 10.0 109.066 169.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.7 t -69.61 136.34 51.1 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 121.838 -0.539 . . . . 10.0 112.207 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.93 -24.68 3.82 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.078 1.751 . . . . 10.0 114.862 178.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.7 ptmm? -57.62 -23.93 53.73 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 120.396 1.453 . . . . 10.0 114.698 171.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -86.64 -13.5 45.42 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.601 1.56 . . . . 10.0 112.842 174.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 77.3 mt -105.47 127.24 60.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 124.76 1.224 . . . . 10.0 109.874 -168.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 47.0 t -70.93 -52.22 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 108.824 -0.806 . . . . 10.0 108.824 169.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -164.62 177.24 8.21 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.712 0.805 . . . . 10.0 112.41 171.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.1 pt -131.59 136.53 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 125.398 1.479 . . . . 10.0 110.205 168.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -108.86 129.16 55.4 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 105.63 -1.989 . . . . 10.0 105.63 166.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 69.2 mt -131.26 123.48 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 N-CA-C 107.064 -1.458 . . . . 10.0 107.064 173.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 81.9 m -119.61 117.47 28.41 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 108.194 -1.039 . . . . 10.0 108.194 178.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.9 t -116.04 120.03 63.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 C-N-CA 124.692 1.197 . . . . 10.0 109.457 172.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 mp -117.08 139.26 50.93 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 125.978 1.711 . . . . 10.0 108.884 176.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.0 p -139.23 131.06 35.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 C-N-CA 123.746 0.819 . . . . 10.0 108.906 177.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -151.83 160.05 43.68 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 121.927 0.87 . . . . 10.0 112.147 -178.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -135.45 113.99 11.7 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 108.284 -1.006 . . . . 10.0 108.284 -172.018 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.39 80.12 1.92 Allowed 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 108.011 -1.107 . . . . 10.0 108.011 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.6 t70 59.54 -35.75 0.07 Allowed 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 126.104 1.761 . . . . 10.0 113.585 -165.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -98.11 159.66 14.79 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 129.799 3.239 . . . . 10.0 109.244 168.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 33.8 tp -104.83 129.09 53.2 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 108.41 -0.959 . . . . 10.0 108.41 168.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.78 150.36 49.44 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 122.614 1.197 . . . . 10.0 112.866 168.183 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.9 p -136.28 134.48 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 126.36 1.864 . . . . 10.0 107.91 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -131.72 131.02 42.7 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 125.493 1.517 . . . . 10.0 108.42 -169.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.2 mt -132.13 130.49 60.86 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 C-N-CA 124.172 0.989 . . . . 10.0 108.837 -169.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.8 t -128.43 134.98 48.9 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 107.511 -1.292 . . . . 10.0 107.511 167.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.29 138.1 49.12 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 121.326 0.584 . . . . 10.0 109.439 169.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -129.02 135.46 48.98 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 125.556 1.542 . . . . 10.0 107.889 -176.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 53.4 tp -126.68 104.35 8.04 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 124.332 1.053 . . . . 10.0 108.322 -172.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -100.08 102.79 14.23 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 107.576 -1.268 . . . . 10.0 107.576 -175.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 52.1 mt -85.45 151.9 23.62 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 124.974 1.31 . . . . 10.0 111.596 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -61.76 147.14 47.19 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.847 170.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -69.73 16.61 0.06 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.202 1.801 . . . . 10.0 113.529 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.57 4.9 4.3 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 127.883 2.473 . . . . 10.0 112.042 -178.529 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.7 t -111.78 174.43 5.88 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.699 1.2 . . . . 10.0 112.82 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -158.99 115.93 2.73 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.326 1.85 . . . . 10.0 108.529 -174.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -130.84 -173.86 3.21 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.649 1.979 . . . . 10.0 112.698 -178.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -85.39 142.52 37.84 Favored Pre-proline 0 CA--C 1.548 0.885 0 O-C-N 120.769 -1.207 . . . . 10.0 110.793 -169.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -73.67 41.96 0.66 Allowed 'Trans proline' 0 CA--C 1.549 1.233 1 C-N-CA 125.533 4.155 . . . . 10.0 113.959 -176.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.07 19.17 0.03 OUTLIER Glycine 0 CA--C 1.542 1.719 0 C-N-CA 127.628 2.537 . . . . 10.0 113.442 175.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.4 tt -65.15 -29.74 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 N-CA-C 114.36 1.244 . . . . 10.0 114.36 -168.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.2 p -86.11 -33.66 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 C-N-CA 124.536 1.134 . . . . 10.0 112.13 175.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.57 -40.53 72.08 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.652 1.181 . . . . 10.0 111.078 174.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -64.01 -33.5 75.87 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 112.961 0.726 . . . . 10.0 112.961 170.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.99 -41.86 90.53 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 119.763 1.165 . . . . 10.0 111.368 172.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.453 HG12 ' CE2' ' A' ' 79' ' ' TYR . 2.3 t -67.32 -44.98 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 122.466 0.306 . . . . 10.0 110.842 178.32 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -58.64 -41.0 84.99 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.546 1.138 . . . . 10.0 111.764 172.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.85 -40.14 96.56 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 120.964 -1.085 . . . . 10.0 111.834 173.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.56 95.71 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.054 0.843 . . . . 10.0 112.139 172.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.453 ' CE2' HG12 ' A' ' 75' ' ' VAL . 44.9 m-85 -63.34 -43.64 97.13 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.784 0.72 . . . . 10.0 112.557 177.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -72.28 -35.61 68.76 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 118.439 0.563 . . . . 10.0 112.143 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.7 t -68.28 -25.08 64.98 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 117.974 -1.012 . . . . 10.0 112.749 172.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 18.3 tp -76.15 -40.44 52.62 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 119.573 1.079 . . . . 10.0 111.446 169.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -58.84 -36.82 75.17 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.354 0.662 . . . . 10.0 111.14 176.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 97.0 p -79.57 -35.48 39.71 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 114.316 1.228 . . . . 10.0 114.316 169.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -58.89 -33.84 70.97 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 120.805 1.639 . . . . 10.0 112.262 174.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.56 9.62 0.16 Allowed 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 125.616 1.566 . . . . 10.0 113.995 174.2 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -50.95 -17.87 0.67 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 127.18 2.192 . . . . 10.0 113.178 166.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -102.12 6.18 53.52 Favored Glycine 0 CA--C 1.53 1.023 0 CA-C-O 118.481 -1.177 . . . . 10.0 114.644 173.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.432 ' CE2' HD13 ' A' ' 3' ' ' LEU . 20.2 m-85 -142.57 -19.4 0.68 Allowed 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 115.47 1.655 . . . . 10.0 115.47 -169.569 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.5 mtt-85 -133.22 -5.11 3.03 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 116.84 2.163 . . . . 10.0 116.84 -171.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 . . . . . 0 C--O 1.251 1.136 0 CA-C-O 116.839 -1.553 . . . . 10.0 111.034 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.417 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.043 0 CA-C-O 118.126 -0.94 . . . . 10.0 110.337 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.3 t -145.26 9.83 1.26 Allowed 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 115.93 1.826 . . . . 10.0 115.93 178.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.566 HD23 ' H ' ' A' ' 3' ' ' LEU . 1.1 pt? -78.4 -175.28 4.17 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.603 1.161 . . . . 10.0 111.561 169.4 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -116.67 -169.19 1.58 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.262 1.025 . . . . 10.0 110.312 173.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -61.98 116.0 4.54 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.604 0.762 . . . . 10.0 109.171 177.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.9 mt -74.63 105.66 5.83 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 122.179 0.99 . . . . 10.0 108.438 -177.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -153.01 -175.15 5.2 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 128.207 2.603 . . . . 10.0 106.49 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -43.33 -40.54 3.63 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.801 2.04 . . . . 10.0 114.28 -172.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.0 -57.52 11.77 Favored Glycine 0 CA--C 1.534 1.22 0 CA-C-N 119.164 0.893 . . . . 10.0 113.708 177.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.96 -41.66 98.24 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 117.513 0.656 . . . . 10.0 110.949 177.669 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mp -64.11 -44.27 92.8 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.072 0.949 . . . . 10.0 113.497 176.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -66.71 -39.75 88.15 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 119.208 0.913 . . . . 10.0 111.462 174.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -66.29 -37.17 84.79 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.805 1.184 . . . . 10.0 112.485 174.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.0 mt -65.4 -42.14 92.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 O-C-N 120.719 -1.238 . . . . 10.0 110.569 172.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.0 t -58.53 -45.87 87.97 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.006 0.821 . . . . 10.0 111.557 172.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.05 -44.49 83.02 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.892 1.677 . . . . 10.0 111.693 173.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -68.09 -43.44 78.52 Favored 'General case' 0 C--O 1.236 0.372 0 O-C-N 121.727 -0.608 . . . . 10.0 112.208 -177.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -76.59 -36.94 57.24 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 113.667 0.988 . . . . 10.0 113.667 177.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -59.36 -47.54 85.02 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.531 1.06 . . . . 10.0 110.169 171.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -59.88 -41.18 91.02 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 112.388 0.514 . . . . 10.0 112.388 172.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.5 m -61.27 -45.85 92.79 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 118.793 0.724 . . . . 10.0 111.557 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 52.2 mt -66.1 -42.92 92.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 118.414 0.552 . . . . 10.0 110.924 175.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.4 t -57.94 -51.04 71.26 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.152 0.433 . . . . 10.0 111.712 176.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -58.93 -38.53 79.2 Favored 'General case' 0 C--N 1.344 0.33 0 CA-C-O 117.359 -1.305 . . . . 10.0 114.515 171.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -65.12 -46.08 82.48 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 120.157 1.344 . . . . 10.0 110.369 177.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.9 mt -63.71 -49.08 83.73 Favored 'Isoleucine or valine' 0 C--N 1.343 0.309 0 CA-C-N 118.594 0.634 . . . . 10.0 109.67 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.8 mp -65.18 -9.08 20.4 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 114.177 1.177 . . . . 10.0 114.177 177.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.6 mtmm -114.7 8.17 16.12 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.846 1.258 . . . . 10.0 113.333 171.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.566 ' HD3' HD11 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -119.95 -29.72 4.88 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 117.893 -1.051 . . . . 10.0 113.443 171.295 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.3 t -133.29 151.49 33.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 126.61 1.964 . . . . 10.0 109.237 173.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.9 t -77.91 136.17 37.98 Favored 'General case' 0 C--N 1.342 0.266 0 O-C-N 120.722 -1.236 . . . . 10.0 111.872 -178.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.69 -24.82 3.64 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.104 1.362 . . . . 10.0 113.294 169.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.18 -21.75 64.09 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.234 1.198 . . . . 10.0 114.234 171.605 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -106.67 -23.32 12.47 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.249 1.82 . . . . 10.0 111.919 -174.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 30.2 mm -70.94 108.54 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 C-N-CA 127.414 2.286 . . . . 10.0 108.325 178.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.7 t -73.16 -49.76 36.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 N-CA-C 108.636 -0.876 . . . . 10.0 108.636 169.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -163.1 175.45 11.05 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.361 0.664 . . . . 10.0 112.739 169.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.3 pt -138.68 139.21 41.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 C-N-CA 125.634 1.574 . . . . 10.0 109.902 171.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -124.53 116.71 22.91 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 124.106 0.962 . . . . 10.0 109.514 177.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 43.2 mt -131.13 127.16 60.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.135 0 C-N-CA 124.562 1.145 . . . . 10.0 108.618 -173.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.9 m -119.7 117.88 29.42 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 124.612 1.165 . . . . 10.0 108.666 175.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 65.5 t -99.4 129.54 49.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 N-CA-C 105.843 -1.91 . . . . 10.0 105.843 167.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 75.4 mt -117.51 139.04 51.46 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 107.958 -1.127 . . . . 10.0 107.958 172.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.4 p -139.82 132.07 34.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 124.43 1.092 . . . . 10.0 109.005 178.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -147.51 159.9 43.22 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.726 1.211 . . . . 10.0 109.459 -174.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -140.27 105.92 5.12 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 107.353 -1.351 . . . . 10.0 107.353 177.092 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.0 t -131.15 80.58 1.95 Allowed 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.791 1.237 . . . . 10.0 107.914 -177.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.5 t70 62.6 -41.68 0.17 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 127.805 2.442 . . . . 10.0 113.084 -166.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -105.16 153.52 21.42 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 127.611 2.365 . . . . 10.0 109.895 169.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 56.2 tp -85.23 129.09 34.88 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.86 1.264 . . . . 10.0 109.177 175.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -128.68 136.28 50.41 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.194 0.998 . . . . 10.0 110.314 -173.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 76.2 t -136.14 143.3 36.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 C-N-CA 124.846 1.258 . . . . 10.0 109.123 173.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -129.94 144.25 51.22 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 106.915 -1.513 . . . . 10.0 106.915 166.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 19.7 mt -130.65 120.49 48.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 N-CA-C 105.924 -1.88 . . . . 10.0 105.924 168.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.1 m -128.58 121.94 29.87 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 107.561 -1.274 . . . . 10.0 107.561 -175.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.28 146.77 52.44 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.211 1.004 . . . . 10.0 111.846 -172.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -139.37 147.58 41.69 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.647 1.179 . . . . 10.0 110.413 172.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 29.1 tp -124.93 128.21 48.27 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 125.81 1.644 . . . . 10.0 109.985 -168.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -114.18 107.96 16.32 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 121.95 0.881 . . . . 10.0 109.955 176.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.4 mt -96.45 152.07 18.96 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 125.81 1.644 . . . . 10.0 110.938 173.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.411 ' C ' ' H ' ' A' ' 63' ' ' LEU . 42.1 t0 -61.65 147.23 46.55 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 115.955 -0.566 . . . . 10.0 111.465 169.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -66.66 20.3 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 127.56 2.344 . . . . 10.0 113.462 -178.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.411 ' H ' ' C ' ' A' ' 61' ' ' ASP . 96.2 mt -136.8 5.09 2.84 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 128.266 2.626 . . . . 10.0 112.293 -173.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.31 143.36 50.46 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.893 1.277 . . . . 10.0 111.382 175.641 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -133.03 94.2 3.32 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 123.613 1.673 . . . . 10.0 109.134 -174.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.75 -176.45 6.09 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 113.261 -1.791 . . . . 10.0 112.414 172.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -85.31 141.76 37.33 Favored Pre-proline 0 CA--C 1.547 0.846 0 O-C-N 121.119 -0.988 . . . . 10.0 111.844 -168.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -73.99 58.56 4.18 Favored 'Trans proline' 0 CA--C 1.544 0.977 1 C-N-CA 125.969 4.446 . . . . 10.0 113.199 -171.287 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 169.64 -6.72 0.04 OUTLIER Glycine 0 CA--C 1.537 1.418 0 C-N-CA 126.717 2.103 . . . . 10.0 114.494 -176.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.566 HD11 ' HD3' ' A' ' 29' ' ' ARG . 3.1 tt -56.11 -29.43 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-N 119.308 1.554 . . . . 10.0 115.178 -171.219 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.7 t -71.85 -52.39 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.119 0.967 . . . . 10.0 109.943 173.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -58.42 -38.95 78.47 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.62 1.168 . . . . 10.0 111.405 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -63.88 -35.43 80.62 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 122.138 -0.351 . . . . 10.0 111.764 172.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.2 -42.84 83.47 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.878 0.763 . . . . 10.0 111.078 176.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.456 HG12 ' CE2' ' A' ' 79' ' ' TYR . 1.6 t -69.46 -41.97 80.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-O 119.1 -0.476 . . . . 10.0 111.293 178.142 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -58.68 -41.2 85.66 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.923 1.289 . . . . 10.0 111.216 172.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.99 -40.57 98.17 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.914 -0.491 . . . . 10.0 111.623 172.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.27 -40.55 96.19 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 119.084 0.857 . . . . 10.0 112.984 172.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.456 ' CE2' HG12 ' A' ' 75' ' ' VAL . 43.9 m-85 -63.99 -43.15 96.56 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.003 0.819 . . . . 10.0 112.087 175.614 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 75.9 mtt-85 -68.22 -36.55 79.68 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.278 0.631 . . . . 10.0 111.742 174.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.3 t -62.87 -48.21 79.98 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 118.622 -0.704 . . . . 10.0 109.867 176.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 27.3 tp -63.54 -43.43 97.12 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 118.906 0.776 . . . . 10.0 112.791 174.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -41.72 91.64 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 119.006 0.821 . . . . 10.0 112.053 178.161 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.4 m -83.04 -29.4 28.89 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 122.033 -0.417 . . . . 10.0 111.628 -178.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -61.68 -42.29 98.72 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.368 1.067 . . . . 10.0 110.643 168.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.8 tp -76.1 -34.27 59.49 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-N 118.677 0.671 . . . . 10.0 112.037 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -59.44 -31.17 69.05 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 118.017 0.371 . . . . 10.0 110.161 167.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -75.97 -12.55 83.91 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 124.1 0.857 . . . . 10.0 114.256 177.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.417 ' O ' ' HA ' ' A' ' 1' ' ' MET . 23.9 m-85 -128.31 -11.81 5.13 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 115.1 1.518 . . . . 10.0 115.1 -174.554 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 22.0 mtm180 -134.62 -41.99 0.77 Allowed 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 117.094 -1.432 . . . . 10.0 114.488 176.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 . . . . . 0 C--O 1.268 2.049 0 O-C-N 126.018 2.074 . . . . 10.0 108.4 -163.588 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 mpp? . . . . . 0 N--CA 1.483 1.18 0 CA-C-O 118.811 -0.614 . . . . 10.0 109.535 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 t -150.69 62.72 0.93 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.404 0.682 . . . . 10.0 111.19 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 88.9 mt -70.0 179.84 2.15 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.893 0.877 . . . . 10.0 111.69 170.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 84.4 mmt-85 -133.63 176.79 8.23 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.0 1.32 . . . . 10.0 110.808 -174.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -59.06 110.05 0.97 Allowed 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.823 -0.806 . . . . 10.0 108.823 171.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 90.6 mt -74.59 111.98 10.32 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 124.087 0.867 . . . . 10.0 110.13 -168.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.9 t -137.87 -170.75 2.85 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.432 1.493 . . . . 10.0 110.231 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.3 -40.8 3.7 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.147 1.779 . . . . 10.0 113.586 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.05 -52.42 44.86 Favored Glycine 0 CA--C 1.535 1.32 0 CA-C-N 119.128 0.876 . . . . 10.0 113.835 175.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.61 -40.57 97.25 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 118.766 1.283 . . . . 10.0 111.149 178.054 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.2 mp -64.96 -37.17 86.75 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.668 1.187 . . . . 10.0 112.986 175.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -69.22 -45.01 70.87 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 120.331 1.423 . . . . 10.0 110.784 168.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -54.81 -40.64 69.73 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 120.242 1.383 . . . . 10.0 111.314 178.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 88.6 mt -70.14 -49.14 57.56 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 123.241 0.616 . . . . 10.0 112.079 171.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.4 m -65.86 -45.44 82.11 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.204 -0.935 . . . . 10.0 111.768 -173.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.2 m -66.59 -35.17 79.54 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.907 1.283 . . . . 10.0 111.529 174.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -60.92 -42.47 98.19 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.976 1.262 . . . . 10.0 112.023 169.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.3 mt -66.58 -45.06 80.49 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 122.972 0.509 . . . . 10.0 111.43 176.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.0 t-160 -58.03 -48.6 79.58 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.325 0.511 . . . . 10.0 111.548 174.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.13 -40.47 93.94 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-O 118.699 -0.667 . . . . 10.0 111.007 175.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.3 m -61.01 -44.4 97.47 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.565 0.746 . . . . 10.0 111.044 -179.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.436 HG23 ' HB1' ' A' ' 74' ' ' ALA . 59.8 mt -67.91 -44.78 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 CA-C-N 118.395 0.543 . . . . 10.0 110.889 175.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.2 t -58.09 -47.77 82.2 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 118.32 0.509 . . . . 10.0 111.379 178.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -63.58 -38.85 92.71 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.529 1.132 . . . . 10.0 111.614 175.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.408 ' HA ' ' HG2' ' A' ' 28' ' ' LYS . 17.9 t80 -65.06 -45.67 84.38 Favored 'General case' 0 C--N 1.345 0.385 0 CA-C-N 119.247 0.93 . . . . 10.0 111.152 177.352 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.4 mt -59.94 -53.09 53.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 108.718 -0.845 . . . . 10.0 108.718 176.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.2 mp -61.49 -31.84 71.83 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.431 0.901 . . . . 10.0 113.431 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.408 ' HG2' ' HA ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -80.88 -0.99 41.52 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 119.721 1.146 . . . . 10.0 113.749 173.413 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -123.37 -29.61 3.79 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 114.039 1.125 . . . . 10.0 114.039 -177.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.0 p -149.66 145.27 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 126.247 1.819 . . . . 10.0 109.898 171.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.8 t -74.3 136.79 42.61 Favored 'General case' 0 N--CA 1.465 0.306 0 O-C-N 120.955 -1.091 . . . . 10.0 113.872 -169.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.85 -24.66 3.71 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.958 1.303 . . . . 10.0 113.076 168.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -81.65 -7.83 59.64 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.553 1.316 . . . . 10.0 114.553 173.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -99.61 -11.46 20.94 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.806 1.642 . . . . 10.0 110.873 170.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.3 mt -95.22 128.23 46.57 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 127.846 2.458 . . . . 10.0 110.071 -177.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.5 t -73.14 -52.8 20.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 C-N-CA 123.801 0.841 . . . . 10.0 108.799 167.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -166.08 177.16 7.17 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.098 0.959 . . . . 10.0 111.991 171.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.3 pt -130.47 141.77 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 125.2 1.4 . . . . 10.0 110.585 171.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -114.27 119.22 36.27 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 108.379 -0.971 . . . . 10.0 108.379 169.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 43.5 mt -131.16 121.95 50.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 N-CA-C 107.89 -1.152 . . . . 10.0 107.89 174.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.1 m -119.61 118.09 30.06 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 107.666 -1.235 . . . . 10.0 107.666 177.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -115.46 117.9 57.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 125.911 1.684 . . . . 10.0 107.319 -177.664 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -117.64 138.84 51.7 Favored 'General case' 0 CA--C 1.523 -0.086 0 N-CA-C 108.581 -0.896 . . . . 10.0 108.581 -178.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.1 p -139.76 141.68 34.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 123.692 0.797 . . . . 10.0 109.228 172.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -143.56 153.9 43.04 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.357 1.463 . . . . 10.0 109.836 -169.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -131.35 99.73 4.94 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.864 0.866 . . . . 10.0 108.788 171.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.8 m -131.2 81.52 1.99 Allowed 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 107.57 -1.27 . . . . 10.0 107.57 177.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.9 t70 64.73 -45.43 0.32 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 128.516 2.727 . . . . 10.0 112.692 -167.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -98.36 146.84 25.29 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 127.463 2.305 . . . . 10.0 110.145 168.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.2 tt -85.39 120.13 26.52 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 106.902 -1.518 . . . . 10.0 106.902 167.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -134.12 148.94 51.05 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.376 0.67 . . . . 10.0 111.085 -175.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.1 p -136.29 148.26 27.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 125.631 1.572 . . . . 10.0 110.586 -173.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -130.85 141.62 50.33 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 125.226 1.41 . . . . 10.0 107.857 167.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.402 HG21 HD11 ' A' ' 22' ' ' ILE . 32.1 mt -130.32 109.7 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 N-CA-C 106.228 -1.768 . . . . 10.0 106.228 173.499 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.2 m -120.92 121.76 38.74 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 108.066 -1.087 . . . . 10.0 108.066 -178.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.45 155.13 47.88 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.937 0.895 . . . . 10.0 112.931 -175.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.41 146.39 32.47 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.32 1.848 . . . . 10.0 110.376 171.54 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 41.8 tp -128.05 104.3 7.7 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 126.038 1.735 . . . . 10.0 109.931 -173.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -93.03 102.74 15.08 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 108.793 -0.818 . . . . 10.0 108.793 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 42.6 mt -85.59 151.99 23.48 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.62 1.168 . . . . 10.0 110.895 171.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -58.9 147.06 35.39 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 112.747 0.647 . . . . 10.0 112.747 175.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -64.89 -9.83 24.03 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 114.561 1.319 . . . . 10.0 114.561 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.15 8.4 43.89 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.384 1.473 . . . . 10.0 112.844 171.454 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 27.5 t -112.95 151.22 30.8 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.818 1.247 . . . . 10.0 112.977 -174.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -146.03 94.91 2.54 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.503 1.921 . . . . 10.0 109.119 -172.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.8 -171.91 1.99 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.536 1.534 . . . . 10.0 112.076 175.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -85.37 144.11 40.12 Favored Pre-proline 0 CA--C 1.548 0.868 0 O-C-N 120.978 -1.077 . . . . 10.0 112.109 -168.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -74.25 45.76 1.25 Allowed 'Trans proline' 0 CA--C 1.548 1.206 1 C-N-CA 125.994 4.463 . . . . 10.0 114.135 -172.024 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.17 8.18 0.02 OUTLIER Glycine 0 CA--C 1.539 1.533 0 C-N-CA 126.932 2.206 . . . . 10.0 114.435 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.6 tt -59.3 -32.93 49.48 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 CA-C-N 118.945 1.372 . . . . 10.0 113.921 -170.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.5 p -86.11 -34.36 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 124.911 1.284 . . . . 10.0 113.055 172.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -58.74 -40.14 82.96 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 119.425 1.012 . . . . 10.0 110.572 174.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -63.78 -32.92 74.58 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 118.593 -0.717 . . . . 10.0 112.274 171.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.436 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -66.85 -44.49 80.87 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.979 1.263 . . . . 10.0 111.433 175.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.458 HG12 ' CE2' ' A' ' 79' ' ' TYR . 1.4 t -66.85 -45.06 88.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 CA-C-N 117.781 0.264 . . . . 10.0 110.436 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -58.64 -40.61 83.89 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.278 1.431 . . . . 10.0 112.031 173.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.94 -41.99 99.66 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.669 0.668 . . . . 10.0 111.333 174.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.27 -43.08 95.94 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 118.463 -0.779 . . . . 10.0 112.491 172.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.458 ' CE2' HG12 ' A' ' 75' ' ' VAL . 42.0 m-85 -66.53 -43.76 84.3 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 119.672 1.123 . . . . 10.0 112.348 179.162 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 44.7 mtm180 -72.61 -30.3 64.24 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.478 -0.764 . . . . 10.0 112.666 176.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 46.7 t -63.06 -48.76 77.3 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 118.143 -0.932 . . . . 10.0 109.867 169.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 25.3 tp -58.06 -43.81 87.15 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.789 0.836 . . . . 10.0 112.469 176.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -60.94 -41.49 96.34 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 119.194 -0.431 . . . . 10.0 111.33 175.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.1 p -68.04 -31.73 71.59 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.969 0.729 . . . . 10.0 112.969 175.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -76.08 -42.13 48.32 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.387 1.075 . . . . 10.0 111.516 -176.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -73.2 -34.06 65.73 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 118.279 -0.867 . . . . 10.0 111.407 171.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -56.12 -42.69 77.25 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 119.376 0.989 . . . . 10.0 110.209 168.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -67.37 -5.03 33.5 Favored Glycine 0 CA--C 1.535 1.284 0 CA-C-O 119.034 -0.87 . . . . 10.0 114.588 175.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 22.2 m-30 -119.96 -22.85 6.57 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 114.383 1.253 . . . . 10.0 114.383 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 45.1 mtm180 -143.97 -20.38 0.57 Allowed 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 115.613 1.709 . . . . 10.0 115.613 -170.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 . . . . . 0 C--O 1.251 1.174 0 O-C-N 124.554 1.159 . . . . 10.0 110.746 -165.827 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ttt . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 108.332 -0.988 . . . . 10.0 108.332 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -129.53 16.45 5.94 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 124.464 1.102 . . . . 10.0 113.257 -169.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 91.0 mt -120.36 155.6 33.04 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 125.883 1.673 . . . . 10.0 111.111 178.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -71.22 176.04 4.84 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.132 1.373 . . . . 10.0 110.378 171.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.69 108.23 0.37 Allowed 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.745 -0.597 . . . . 10.0 109.952 168.288 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 77.1 mt -74.9 105.63 6.03 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 119.774 -1.829 . . . . 10.0 110.224 -173.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.0 t -140.2 -169.78 2.83 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.771 0.828 . . . . 10.0 110.457 175.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -41.06 -46.56 2.95 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 126.658 1.983 . . . . 10.0 113.659 -175.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.17 -49.75 50.73 Favored Glycine 0 CA--C 1.528 0.892 0 CA-C-O 121.846 0.692 . . . . 10.0 113.208 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -67.57 -35.42 78.98 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.796 1.639 . . . . 10.0 111.143 -177.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 mp -70.02 -40.42 75.22 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.314 1.446 . . . . 10.0 113.165 169.102 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -63.14 -39.68 95.38 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 119.591 1.087 . . . . 10.0 111.786 173.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -58.54 -44.06 89.49 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.228 0.922 . . . . 10.0 112.005 172.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.7 mt -65.85 -46.26 89.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 O-C-N 121.524 -0.735 . . . . 10.0 111.276 174.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.8 t -58.88 -42.78 90.31 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.556 0.742 . . . . 10.0 111.927 176.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.5 t -64.51 -43.91 92.59 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 125.234 1.413 . . . . 10.0 111.77 174.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.38 -42.59 92.03 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.949 0.795 . . . . 10.0 111.599 174.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.6 mt -65.76 -50.51 64.49 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.542 0.737 . . . . 10.0 111.914 176.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -57.64 -49.92 74.88 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 118.864 0.756 . . . . 10.0 111.597 177.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -61.82 -37.45 84.48 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 118.741 -0.647 . . . . 10.0 111.336 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.3 m -61.09 -46.41 90.75 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 118.92 0.782 . . . . 10.0 111.339 176.188 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.523 HG23 ' HB1' ' A' ' 74' ' ' ALA . 43.4 mt -63.71 -49.94 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-N 118.765 0.711 . . . . 10.0 110.742 174.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.2 m -61.81 -40.94 97.03 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.287 0.635 . . . . 10.0 112.378 -176.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -66.13 -38.66 88.7 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.739 0.7 . . . . 10.0 111.931 171.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -66.21 -38.26 87.53 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 119.415 1.007 . . . . 10.0 112.026 176.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.3 mt -61.48 -53.12 52.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 O-C-N 121.177 -0.952 . . . . 10.0 109.276 171.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -63.34 -32.89 74.43 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.655 0.983 . . . . 10.0 113.655 -178.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.67 -9.05 58.26 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 118.149 -0.929 . . . . 10.0 113.411 174.734 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 -110.33 -34.82 6.24 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.459 1.652 . . . . 10.0 115.459 171.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.0 t -141.5 134.16 29.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.532 1.533 . . . . 10.0 109.525 -176.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.1 t -71.79 136.65 47.17 Favored 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 123.738 0.815 . . . . 10.0 112.004 178.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.81 -24.69 3.68 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.409 1.084 . . . . 10.0 113.217 169.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -24.26 67.52 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 120.604 1.547 . . . . 10.0 113.904 172.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -87.55 -14.57 39.87 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.892 1.677 . . . . 10.0 111.859 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 86.5 mt -109.29 128.22 65.41 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 127.18 2.192 . . . . 10.0 109.314 -169.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.4 t -69.21 -50.35 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 O-C-N 121.682 -0.636 . . . . 10.0 110.088 169.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -163.71 176.19 9.83 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.295 0.85 . . . . 10.0 113.295 172.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.8 pt -133.09 143.13 40.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 C-N-CA 125.58 1.552 . . . . 10.0 110.443 169.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -123.67 126.85 47.32 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 107.664 -1.236 . . . . 10.0 107.664 169.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 51.9 mt -131.32 121.61 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 N-CA-C 107.709 -1.219 . . . . 10.0 107.709 -179.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.5 m -119.69 117.86 29.39 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 124.685 1.194 . . . . 10.0 108.026 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.3 t -115.53 127.21 73.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 N-CA-C 107.33 -1.359 . . . . 10.0 107.33 175.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.1 mp -117.66 139.06 51.53 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 124.978 1.311 . . . . 10.0 108.046 -175.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.3 p -139.68 137.34 39.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 C-N-CA 123.921 0.888 . . . . 10.0 109.74 176.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -148.46 156.91 43.08 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.295 1.438 . . . . 10.0 109.329 -176.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -138.12 104.9 5.35 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 107.479 -1.304 . . . . 10.0 107.479 174.565 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.7 t -131.21 80.86 1.96 Allowed 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.413 1.485 . . . . 10.0 108.19 -173.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.7 t70 64.64 -33.05 0.14 Allowed 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 127.63 2.372 . . . . 10.0 113.47 -167.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -123.78 158.66 31.24 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 128.355 2.662 . . . . 10.0 109.21 172.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 49.9 tp -85.18 129.16 34.86 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.457 1.103 . . . . 10.0 109.154 177.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -124.15 136.87 54.51 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 124.589 1.156 . . . . 10.0 109.889 178.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.0 p -136.31 141.28 41.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 C-N-CA 125.354 1.462 . . . . 10.0 108.512 173.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -140.92 146.33 37.27 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 123.979 0.912 . . . . 10.0 111.243 176.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 36.6 mt -132.43 120.03 41.22 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 C-N-CA 125.401 1.48 . . . . 10.0 109.456 -170.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.8 m -122.65 127.17 48.98 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.603 1.161 . . . . 10.0 108.725 169.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.32 138.28 49.15 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.313 0.645 . . . . 10.0 110.756 175.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -127.39 137.32 52.72 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 125.672 1.589 . . . . 10.0 109.782 -175.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -116.09 121.01 40.92 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 125.699 1.599 . . . . 10.0 107.448 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -113.52 102.68 10.53 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 107.394 -1.335 . . . . 10.0 107.394 173.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.5 mt -85.05 152.04 23.71 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 125.383 1.473 . . . . 10.0 111.242 -177.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -61.42 147.25 45.68 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.429 168.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -66.67 9.87 0.16 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.94 1.296 . . . . 10.0 114.234 -178.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.1 tp -127.83 6.88 6.12 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 128.287 2.635 . . . . 10.0 111.876 178.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.8 m -112.73 145.13 41.07 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.351 1.46 . . . . 10.0 112.046 -178.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -144.57 94.46 2.56 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.157 1.383 . . . . 10.0 110.636 -177.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.71 -168.29 2.19 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 125.881 1.672 . . . . 10.0 112.684 174.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -85.43 145.59 42.66 Favored Pre-proline 0 CA--C 1.546 0.809 0 O-C-N 121.092 -1.005 . . . . 10.0 110.269 -176.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -72.67 49.42 1.49 Allowed 'Trans proline' 0 CA--C 1.548 1.189 1 C-N-CA 125.82 4.347 . . . . 10.0 112.93 178.701 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.04 5.56 0.02 OUTLIER Glycine 0 CA--C 1.54 1.636 0 C-N-CA 127.605 2.526 . . . . 10.0 114.741 -175.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.3 tp -52.07 -39.94 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-N 119.881 1.841 . . . . 10.0 113.342 -174.091 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.5 p -86.29 -29.75 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 C-N-CA 125.434 1.494 . . . . 10.0 113.796 177.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -60.2 -44.5 95.07 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.112 0.565 . . . . 10.0 109.548 175.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -63.97 -38.1 89.84 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 118.363 -0.827 . . . . 10.0 112.459 171.052 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.523 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -64.26 -43.4 94.96 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 120.37 1.441 . . . . 10.0 111.769 178.528 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.3 t -68.46 -46.31 80.63 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 125.157 1.383 . . . . 10.0 111.168 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -58.64 -42.13 87.59 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.222 1.409 . . . . 10.0 112.169 170.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.97 -43.05 99.85 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.643 -0.661 . . . . 10.0 110.995 175.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.73 -42.69 99.3 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 118.437 -0.792 . . . . 10.0 112.395 172.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -66.31 -43.34 86.53 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.685 1.129 . . . . 10.0 112.84 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 45.4 mtm180 -72.84 -30.63 64.17 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 118.863 0.756 . . . . 10.0 112.399 177.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.0 t -65.42 -40.82 93.8 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 118.658 -0.687 . . . . 10.0 110.586 168.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 25.8 tp -63.64 -44.29 94.29 Favored 'General case' 0 C--N 1.342 0.265 0 CA-C-N 119.098 0.863 . . . . 10.0 112.704 174.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -59.46 -41.28 89.34 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.003 0.82 . . . . 10.0 111.102 174.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.6 m -67.83 -38.4 83.15 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.947 0.899 . . . . 10.0 112.191 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -66.26 -42.31 88.68 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.233 1.413 . . . . 10.0 111.067 173.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.5 tp -73.1 -34.21 66.05 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 121.617 -0.677 . . . . 10.0 111.958 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -56.18 -28.44 58.18 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.175 0.59 . . . . 10.0 111.116 168.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -77.95 -5.97 87.08 Favored Glycine 0 CA--C 1.535 1.306 0 CA-C-O 118.936 -0.924 . . . . 10.0 114.757 174.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -137.56 -14.83 1.44 Allowed 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 115.889 1.811 . . . . 10.0 115.889 -171.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.6 mtp85 -136.7 -28.56 0.98 Allowed 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 116.354 -1.784 . . . . 10.0 115.458 -177.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . 0.261 13.9 pt-20 . . . . . 0 C--O 1.256 1.442 0 CA-C-O 116.498 -1.715 . . . . 10.0 113.436 -169.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.48 1.046 0 N-CA-C 108.919 -0.771 . . . . 10.0 108.919 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 t -164.69 151.68 11.14 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.709 1.203 . . . . 10.0 109.618 176.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.1 pp -138.61 173.93 11.07 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.001 2.12 . . . . 10.0 110.489 178.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.8 -173.26 2.67 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.531 0.681 . . . . 10.0 110.269 -170.089 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -55.75 125.83 22.93 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 107.571 -1.27 . . . . 10.0 107.571 168.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.1 mt -74.74 105.78 5.97 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 122.321 1.058 . . . . 10.0 108.579 -177.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.0 t -148.82 -175.75 5.07 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 127.756 2.422 . . . . 10.0 107.719 -178.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -38.15 -48.61 1.27 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 126.342 1.857 . . . . 10.0 113.037 -174.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.63 -61.12 7.59 Favored Glycine 0 CA--C 1.535 1.334 0 CA-C-N 118.792 0.724 . . . . 10.0 114.442 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -70.13 -33.16 71.47 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.952 -0.734 . . . . 10.0 111.553 -177.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.8 mt -69.97 -42.33 73.27 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.595 0.758 . . . . 10.0 111.843 176.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -63.46 -45.3 91.49 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 119.237 0.926 . . . . 10.0 110.784 173.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -57.74 -43.62 85.49 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.719 0.808 . . . . 10.0 112.228 174.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.4 mt -64.97 -41.5 92.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 O-C-N 121.573 -0.704 . . . . 10.0 110.761 173.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.6 p -58.8 -39.9 82.49 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.645 1.111 . . . . 10.0 112.047 174.148 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.6 t -66.51 -43.88 84.07 Favored 'General case' 0 C--N 1.341 0.216 0 C-N-CA 124.431 1.092 . . . . 10.0 111.102 175.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -59.45 -42.55 92.22 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.513 0.597 . . . . 10.0 112.011 174.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.8 mt -64.43 -49.75 70.25 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.472 0.709 . . . . 10.0 111.972 175.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -59.74 -47.65 84.81 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 118.187 0.448 . . . . 10.0 111.56 178.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -62.35 -36.77 83.27 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 118.642 -0.694 . . . . 10.0 111.977 175.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.0 m -61.04 -44.98 96.59 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.809 1.186 . . . . 10.0 111.465 178.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 52.0 mt -68.27 -44.33 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 O-C-N 122.117 -0.364 . . . . 10.0 110.832 175.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.5 t -57.31 -50.91 71.44 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 119.174 -0.441 . . . . 10.0 111.204 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.28 -38.78 77.67 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 114.316 1.228 . . . . 10.0 114.316 173.33 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -64.47 -45.75 86.03 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.543 1.065 . . . . 10.0 110.591 177.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.3 mt -66.2 -53.17 39.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-O 118.7 -0.667 . . . . 10.0 109.363 178.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.01 -16.12 60.91 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.237 1.199 . . . . 10.0 114.237 -177.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -109.44 7.06 24.75 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.583 0.957 . . . . 10.0 113.583 174.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -124.23 -20.48 5.25 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.763 1.394 . . . . 10.0 114.763 169.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.6 p -141.93 140.25 30.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 125.963 1.705 . . . . 10.0 110.163 171.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.6 t -76.45 136.58 39.41 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 121.298 -0.876 . . . . 10.0 112.107 -175.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.83 -24.84 3.82 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.467 1.107 . . . . 10.0 113.586 169.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -72.98 -11.19 60.48 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.194 1.183 . . . . 10.0 114.194 173.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -97.08 -15.34 21.04 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.732 1.613 . . . . 10.0 111.752 173.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.4 mm -101.93 128.25 54.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 128.04 2.536 . . . . 10.0 110.393 -168.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.9 t -77.37 -51.23 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 N-CA-C 109.11 -0.7 . . . . 10.0 109.11 167.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -164.6 176.99 8.41 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.67 0.788 . . . . 10.0 112.999 171.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 15.8 pt -134.6 141.76 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 125.404 1.482 . . . . 10.0 110.261 169.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -127.83 108.12 10.45 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.883 0.873 . . . . 10.0 109.13 -176.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.8 mt -122.0 124.29 70.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 N-CA-C 108.98 -0.748 . . . . 10.0 108.98 -171.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.3 m -119.65 117.82 29.31 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 125.541 1.536 . . . . 10.0 108.168 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.2 m -115.55 119.98 63.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 126.573 1.949 . . . . 10.0 107.691 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 88.4 mt -117.72 137.01 52.98 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 124.448 1.099 . . . . 10.0 108.589 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.6 p -139.79 134.27 37.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 C-N-CA 123.461 0.704 . . . . 10.0 110.036 176.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -153.22 159.97 42.72 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.844 1.258 . . . . 10.0 110.132 -171.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -142.87 102.14 3.97 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.447 -0.783 . . . . 10.0 109.716 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 48.5 m -131.78 97.69 4.26 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 120.964 -1.085 . . . . 10.0 109.771 171.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 57.97 -24.75 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 127.842 2.457 . . . . 10.0 115.911 -169.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -133.41 159.69 39.58 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 127.453 2.301 . . . . 10.0 110.026 168.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.6 tt -85.38 128.42 34.71 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.672 1.189 . . . . 10.0 108.489 179.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -117.36 126.77 53.23 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 124.6 1.16 . . . . 10.0 108.743 175.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.3 p -136.16 123.48 33.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 106.5 -1.667 . . . . 10.0 106.5 169.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -139.77 132.6 29.17 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.773 -0.825 . . . . 10.0 108.773 -167.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 21.3 mt -132.1 127.08 57.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 C-N-CA 123.672 0.789 . . . . 10.0 109.45 -168.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.4 m -127.31 131.11 50.52 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 125.242 1.417 . . . . 10.0 108.508 174.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.19 138.38 49.38 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.46 0.704 . . . . 10.0 110.144 177.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.32 145.14 48.19 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 126.076 1.75 . . . . 10.0 109.945 177.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 64.3 tp -128.16 109.14 11.23 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 114.551 -1.204 . . . . 10.0 109.936 -169.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -108.0 102.7 11.85 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 122.511 1.148 . . . . 10.0 108.707 178.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 27.1 mt -88.5 152.05 22.13 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 126.986 2.114 . . . . 10.0 110.475 175.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -60.23 147.29 40.57 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 120.856 -0.338 . . . . 10.0 111.432 169.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -68.25 38.76 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 128.555 2.742 . . . . 10.0 112.99 -178.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 50.9 tp -160.56 -27.88 0.06 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 128.52 2.728 . . . . 10.0 112.099 -169.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 25.9 m -74.28 153.75 39.24 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.29 1.436 . . . . 10.0 112.965 -178.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -141.09 94.41 2.7 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 123.034 1.397 . . . . 10.0 110.344 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.15 -167.97 1.67 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.324 1.85 . . . . 10.0 112.204 176.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -85.41 144.44 40.52 Favored Pre-proline 0 CA--C 1.544 0.726 0 O-C-N 120.948 -1.095 . . . . 10.0 110.09 -175.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -72.68 42.17 0.57 Allowed 'Trans proline' 0 CA--C 1.549 1.237 1 C-N-CA 125.555 4.17 . . . . 10.0 113.619 -179.423 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.09 12.68 0.02 OUTLIER Glycine 0 CA--C 1.539 1.54 0 C-N-CA 126.759 2.123 . . . . 10.0 114.234 177.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 9.3 tt -60.16 -33.88 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-N 119.078 1.439 . . . . 10.0 114.198 -168.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 75' ' ' VAL . 6.3 p -86.14 -39.0 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 C-N-CA 124.281 1.032 . . . . 10.0 112.046 174.203 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -55.27 -46.17 76.14 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.753 1.221 . . . . 10.0 110.846 175.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -63.97 -33.33 75.49 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.039 0.936 . . . . 10.0 112.517 171.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.97 -42.52 89.78 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.883 1.219 . . . . 10.0 111.715 173.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 71' ' ' VAL . 1.6 t -68.29 -43.82 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 118.243 0.474 . . . . 10.0 110.576 178.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -58.74 -41.62 86.9 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.651 1.18 . . . . 10.0 111.55 172.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.96 -39.61 95.2 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.619 -0.676 . . . . 10.0 111.631 173.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.24 -44.03 93.07 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.191 0.905 . . . . 10.0 112.391 171.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.429 ' CE2' HG12 ' A' ' 75' ' ' VAL . 39.4 m-85 -64.03 -43.46 95.5 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 119.354 0.979 . . . . 10.0 112.458 178.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 45.6 mtm105 -72.39 -30.22 64.47 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.519 0.6 . . . . 10.0 112.607 175.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.7 m -64.47 -43.4 94.3 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 118.694 -0.669 . . . . 10.0 110.616 169.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.37 -45.58 87.11 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.113 0.965 . . . . 10.0 112.021 177.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -58.88 -41.26 86.68 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.945 0.898 . . . . 10.0 111.103 175.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.7 m -69.67 -35.47 75.18 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.921 0.888 . . . . 10.0 112.239 174.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -68.54 -42.53 78.31 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 117.924 -1.036 . . . . 10.0 111.525 -176.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -73.22 -34.17 65.75 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 120.604 1.547 . . . . 10.0 111.614 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -57.05 -43.96 82.5 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 109.299 -0.63 . . . . 10.0 109.299 167.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -72.24 -1.04 48.74 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 124.827 1.203 . . . . 10.0 115.244 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -127.86 -17.85 4.37 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.035 1.417 . . . . 10.0 114.272 178.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 64.6 mtm180 -143.87 -16.88 0.6 Allowed 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 115.746 1.758 . . . . 10.0 115.746 -173.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 . . . . . 0 C--O 1.256 1.422 0 CA-C-O 116.342 -1.79 . . . . 10.0 111.056 -167.14 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ptt? . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 118.51 -0.757 . . . . 10.0 109.952 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.7 t -171.94 -60.05 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.346 1.458 . . . . 10.0 108.112 169.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.0 mp -73.8 172.67 11.09 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.278 1.031 . . . . 10.0 109.62 166.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -102.58 -155.74 0.53 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.918 1.687 . . . . 10.0 108.475 -177.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.27 124.96 14.48 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.502 -0.748 . . . . 10.0 109.342 168.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 51.9 mt -74.77 107.88 7.15 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 108.505 -0.924 . . . . 10.0 108.505 -173.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.4 t -147.31 -171.56 3.82 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 124.607 1.163 . . . . 10.0 111.946 -167.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -62.72 44.32 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 130.371 3.468 . . . . 10.0 113.19 172.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.4 -58.48 0.02 OUTLIER Glycine 0 CA--C 1.528 0.848 0 C-N-CA 126.754 2.121 . . . . 10.0 110.154 171.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -61.57 -42.82 99.41 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.73 0.812 . . . . 10.0 112.456 176.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 98.0 mt -70.27 -36.65 74.55 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.459 -0.776 . . . . 10.0 112.364 175.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -64.33 -39.53 94.09 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.328 1.051 . . . . 10.0 111.867 174.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -60.71 -42.03 96.45 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.585 1.154 . . . . 10.0 111.591 170.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.5 mt -64.73 -43.49 96.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 CA-C-N 118.745 0.702 . . . . 10.0 110.229 172.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.5 p -58.85 -37.6 76.86 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.435 1.016 . . . . 10.0 111.734 176.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.4 m -69.59 -43.85 71.96 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.864 1.266 . . . . 10.0 110.699 177.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -60.88 -41.34 95.78 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.256 1.023 . . . . 10.0 112.144 173.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.4 mt -64.01 -49.67 71.53 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.991 0.917 . . . . 10.0 111.866 174.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -55.77 -50.0 71.62 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-N 119.363 0.983 . . . . 10.0 111.417 174.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -63.15 -37.94 89.19 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 119.497 -0.287 . . . . 10.0 110.439 -176.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 80.5 m -61.39 -46.98 87.92 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.909 0.883 . . . . 10.0 111.916 175.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.434 HG23 ' HB1' ' A' ' 74' ' ' ALA . 77.5 mt -67.82 -47.72 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 CA-C-N 118.509 0.595 . . . . 10.0 110.688 178.669 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.8 m -59.63 -45.51 91.74 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.248 0.619 . . . . 10.0 111.243 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.8 -38.81 89.52 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 114.296 1.221 . . . . 10.0 114.296 169.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -62.02 -45.54 93.14 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 120.61 1.55 . . . . 10.0 110.829 177.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 91.4 mt -61.38 -52.94 55.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 C-N-CA 123.725 0.81 . . . . 10.0 109.591 175.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.1 mp -64.29 -14.24 54.68 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 114.304 1.224 . . . . 10.0 114.304 179.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -100.24 -1.42 36.45 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.874 1.27 . . . . 10.0 112.931 174.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -118.84 -15.86 9.35 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.348 1.24 . . . . 10.0 114.348 168.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.3 t -144.98 141.02 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 126.001 1.72 . . . . 10.0 108.757 -174.277 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.7 t -75.58 135.39 40.54 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.942 1.09 . . . . 10.0 113.942 -171.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.71 -24.7 3.57 Favored 'General case' 0 CA--C 1.55 0.95 0 O-C-N 120.484 -1.385 . . . . 10.0 113.358 167.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -75.67 -21.64 57.46 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.62 1.341 . . . . 10.0 114.62 173.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -110.41 -16.81 13.61 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 119.578 1.081 . . . . 10.0 112.638 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.1 mm -70.94 113.67 7.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 107.055 -1.461 . . . . 10.0 107.055 167.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.5 t -71.54 -49.99 42.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 N-CA-C 108.681 -0.859 . . . . 10.0 108.681 168.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -164.93 177.04 8.14 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.612 0.765 . . . . 10.0 112.2 171.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -134.82 140.07 46.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 C-N-CA 125.269 1.428 . . . . 10.0 109.479 168.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -120.35 110.35 16.44 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.122 -1.066 . . . . 10.0 108.122 -177.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 33.1 mt -128.17 122.02 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 123.753 0.821 . . . . 10.0 108.904 -171.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.6 m -115.58 117.71 31.07 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 125.626 1.57 . . . . 10.0 107.365 178.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -115.54 117.74 56.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 125.393 1.477 . . . . 10.0 107.466 178.01 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.94 139.07 51.68 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.719 1.208 . . . . 10.0 109.568 -177.078 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.1 p -139.82 140.8 35.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 123.034 0.534 . . . . 10.0 110.955 -178.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -150.5 160.03 44.07 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.047 0.939 . . . . 10.0 112.068 179.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -131.74 105.35 7.44 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 108.467 -0.938 . . . . 10.0 108.467 169.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.416 ' C ' ' H ' ' A' ' 49' ' ' GLU . 5.0 p -131.02 80.66 1.95 Allowed 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.357 1.463 . . . . 10.0 107.13 -173.03 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.5 t70 62.79 -27.1 0.07 Allowed 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 127.339 2.255 . . . . 10.0 113.966 -167.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.416 ' H ' ' C ' ' A' ' 47' ' ' THR . 37.7 tt0 -134.76 159.96 39.69 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 128.585 2.754 . . . . 10.0 109.574 172.603 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 35.0 tp -85.0 129.12 34.85 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.401 1.08 . . . . 10.0 109.135 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.1 tptp -132.19 146.2 51.86 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 122.43 1.11 . . . . 10.0 110.157 172.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.9 p -135.2 147.32 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 125.966 1.707 . . . . 10.0 107.807 174.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -123.11 142.92 50.36 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 125.241 1.416 . . . . 10.0 108.267 169.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.2 mt -131.05 108.81 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 N-CA-C 105.253 -2.129 . . . . 10.0 105.253 175.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.6 m -124.49 121.66 35.46 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 107.239 -1.393 . . . . 10.0 107.239 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.5 150.26 52.22 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.766 0.826 . . . . 10.0 112.32 -173.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -140.94 143.57 34.63 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.829 2.051 . . . . 10.0 109.331 -178.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 36.4 tp -128.29 121.87 30.3 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.471 1.508 . . . . 10.0 111.695 -169.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -114.1 107.12 15.22 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 121.447 0.641 . . . . 10.0 112.198 178.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -82.25 151.94 26.59 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 126.239 1.816 . . . . 10.0 111.546 168.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.411 ' C ' ' H ' ' A' ' 63' ' ' LEU . 25.8 t0 -61.48 147.18 46.13 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.299 0.64 . . . . 10.0 110.72 167.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -66.99 17.19 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.121 1.769 . . . . 10.0 113.877 -179.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.411 ' H ' ' C ' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -133.59 5.27 3.69 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 128.299 2.64 . . . . 10.0 112.456 -177.478 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.3 t -131.99 169.01 16.93 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.337 1.055 . . . . 10.0 112.132 172.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -153.72 94.77 1.81 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.224 1.81 . . . . 10.0 109.085 -172.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.9 -177.04 5.77 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.892 1.277 . . . . 10.0 112.538 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -85.43 134.44 40.3 Favored Pre-proline 0 CA--C 1.547 0.863 0 O-C-N 120.615 -1.303 . . . . 10.0 110.517 -173.039 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -74.53 63.34 5.54 Favored 'Trans proline' 0 CA--C 1.542 0.901 1 C-N-CA 125.399 4.066 . . . . 10.0 113.201 -169.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.09 -8.43 0.03 OUTLIER Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.74 1.162 . . . . 10.0 115.589 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 73.3 mt -56.07 -30.92 30.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 120.03 1.915 . . . . 10.0 113.697 -175.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 70.4 t -64.95 -54.68 26.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 CA-C-N 118.987 0.812 . . . . 10.0 111.187 172.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -58.12 -41.49 83.75 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.42 1.088 . . . . 10.0 110.761 177.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -63.88 -40.33 96.28 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 118.73 -0.652 . . . . 10.0 112.024 172.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.434 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -67.37 -41.62 84.78 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.649 1.113 . . . . 10.0 111.1 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.74 -46.99 87.52 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 C-N-CA 125.066 1.346 . . . . 10.0 110.875 176.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -58.69 -42.15 87.9 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.672 1.589 . . . . 10.0 112.302 171.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.16 -42.11 96.87 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.51 -0.744 . . . . 10.0 111.302 175.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.35 -39.6 94.99 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 118.312 -0.852 . . . . 10.0 112.403 172.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -63.88 -43.42 96.09 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 119.65 1.114 . . . . 10.0 112.011 173.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 74.5 mtt-85 -63.95 -44.06 93.92 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 120.753 -1.217 . . . . 10.0 110.562 176.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.8 t -68.25 -16.71 64.07 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 117.144 -1.408 . . . . 10.0 114.43 175.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 39.6 tp -87.28 -47.13 9.08 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 120.191 1.36 . . . . 10.0 111.807 169.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.31 -41.23 77.03 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 118.948 -0.549 . . . . 10.0 110.552 -175.036 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.8 m -69.39 -18.33 63.75 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.464 0.912 . . . . 10.0 113.464 172.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -80.99 -42.1 21.71 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.295 1.438 . . . . 10.0 110.526 174.166 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.75 -34.69 77.32 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 120.87 -1.144 . . . . 10.0 112.042 172.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -70.16 2.89 3.2 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 127.771 2.428 . . . . 10.0 112.958 170.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -125.81 -5.57 6.32 Favored Glycine 0 CA--C 1.531 1.054 0 CA-C-O 118.736 -1.036 . . . . 10.0 114.37 173.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -128.91 -17.05 4.02 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.012 1.406 . . . . 10.0 114.657 -175.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -140.64 -46.72 0.41 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.465 1.106 . . . . 10.0 113.714 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 . . . . . 0 C--O 1.251 1.134 0 CA-C-O 116.083 -1.913 . . . . 10.0 111.44 -169.273 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.422 ' HA ' ' HG2' ' A' ' 91' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.796 0 N-CA-C 108.517 -0.919 . . . . 10.0 108.517 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t 56.98 -178.43 0.05 Allowed 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.545 1.538 . . . . 10.0 113.662 -168.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -132.98 -170.49 2.47 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.44 1.896 . . . . 10.0 111.734 -173.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 53.0 ttt85 -109.89 159.7 17.01 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.666 1.187 . . . . 10.0 110.131 -174.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.75 105.12 0.11 Allowed 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.569 1.148 . . . . 10.0 110.722 174.501 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 69.8 mt -74.79 112.5 11.06 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 109.639 -0.504 . . . . 10.0 109.639 -172.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.1 t -147.0 -173.57 4.27 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.801 1.24 . . . . 10.0 109.396 174.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -47.63 -39.89 18.16 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.326 1.45 . . . . 10.0 113.36 -172.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.89 -53.47 37.31 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 123.809 0.719 . . . . 10.0 113.28 176.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -65.28 -39.41 92.55 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.197 1.399 . . . . 10.0 111.758 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.21 -39.49 89.66 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.986 0.914 . . . . 10.0 113.254 171.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -65.17 -42.38 93.75 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 119.468 1.031 . . . . 10.0 111.43 171.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -62.29 -41.99 98.97 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.489 1.04 . . . . 10.0 111.964 175.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 52.5 mt -64.79 -43.61 96.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 O-C-N 121.153 -0.967 . . . . 10.0 110.463 174.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.3 m -63.62 -41.59 98.26 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.413 0.685 . . . . 10.0 111.223 178.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.0 t -62.1 -43.93 97.77 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.995 1.718 . . . . 10.0 111.734 172.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -61.17 -40.7 94.87 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.076 0.95 . . . . 10.0 112.137 175.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.8 mt -65.37 -51.29 61.42 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 123.125 0.57 . . . . 10.0 111.54 173.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.9 t-160 -57.9 -47.97 81.25 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.211 0.604 . . . . 10.0 111.595 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -63.89 -35.56 81.07 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 118.14 -0.933 . . . . 10.0 112.104 175.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.0 m -61.09 -47.13 87.73 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.915 1.234 . . . . 10.0 111.284 174.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.452 HG23 ' HB1' ' A' ' 74' ' ' ALA . 50.8 mt -65.14 -46.06 92.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-N 118.48 0.582 . . . . 10.0 110.229 177.292 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.9 t -57.62 -48.36 79.65 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.175 0.59 . . . . 10.0 111.626 178.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -63.16 -38.88 92.9 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.781 -0.575 . . . . 10.0 112.242 175.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -62.49 -45.65 92.03 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 119.338 0.972 . . . . 10.0 110.734 176.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.9 mt -61.48 -52.97 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-O 118.059 -0.972 . . . . 10.0 109.477 176.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.64 -28.52 68.62 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.692 1.133 . . . . 10.0 113.691 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -82.77 -5.7 59.05 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.046 1.128 . . . . 10.0 114.046 172.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -128.1 -29.95 2.48 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 115.325 1.602 . . . . 10.0 115.325 -174.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.6 t -137.25 144.42 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 126.597 1.959 . . . . 10.0 109.448 178.192 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 45.7 t -85.51 136.58 33.36 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 115.422 1.638 . . . . 10.0 115.422 -168.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.95 -24.46 3.67 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 120.617 -1.302 . . . . 10.0 113.262 167.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -77.46 -5.24 49.19 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.888 1.44 . . . . 10.0 114.888 175.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -128.88 -22.99 3.15 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.701 1.601 . . . . 10.0 112.554 177.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.1 mm -70.85 112.16 5.41 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 N-CA-C 106.763 -1.569 . . . . 10.0 106.763 168.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.6 t -68.91 -47.76 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 C-N-CA 124.03 0.932 . . . . 10.0 109.418 171.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -161.24 174.56 13.42 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 121.523 0.677 . . . . 10.0 112.599 169.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.7 pt -136.23 138.56 46.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 C-N-CA 125.004 1.321 . . . . 10.0 110.191 169.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -122.74 120.53 33.91 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 107.698 -1.223 . . . . 10.0 107.698 176.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 59.2 mt -131.16 117.52 37.27 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.145 0 N-CA-C 108.095 -1.076 . . . . 10.0 108.095 -174.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 89.9 m -119.7 117.65 28.84 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 125.023 1.329 . . . . 10.0 107.6 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 m -115.68 130.17 70.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 125.863 1.665 . . . . 10.0 108.691 -178.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -117.69 139.01 51.61 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 124.66 1.184 . . . . 10.0 108.796 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.0 p -139.72 133.21 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 C-N-CA 124.194 0.998 . . . . 10.0 109.148 174.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -150.3 159.34 44.52 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.105 1.362 . . . . 10.0 109.806 -170.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -145.5 100.36 3.43 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 108.315 -0.994 . . . . 10.0 108.315 176.222 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 99.6 m -131.14 80.97 1.96 Allowed 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.025 1.73 . . . . 10.0 107.392 -172.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.2 t70 66.14 -47.44 0.42 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 127.514 2.325 . . . . 10.0 112.06 -167.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -98.41 157.54 16.14 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.807 1.643 . . . . 10.0 110.702 167.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.1 tp -85.35 129.09 34.89 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 108.112 -1.07 . . . . 10.0 108.112 168.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -128.65 137.5 51.68 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.55 0.69 . . . . 10.0 110.655 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.1 p -136.11 138.93 46.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 C-N-CA 125.273 1.429 . . . . 10.0 107.8 170.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -140.13 146.13 38.44 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.993 0.917 . . . . 10.0 111.187 179.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.5 mt -132.3 122.17 47.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 C-N-CA 124.76 1.224 . . . . 10.0 109.717 -168.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.0 m -124.65 125.57 44.34 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 124.309 1.044 . . . . 10.0 109.124 171.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.25 145.17 51.79 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.908 0.883 . . . . 10.0 110.965 177.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -131.06 142.7 50.32 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 125.566 1.546 . . . . 10.0 110.102 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -120.28 107.11 12.57 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 126.096 1.758 . . . . 10.0 107.776 -176.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -100.03 112.84 25.13 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 107.847 -1.168 . . . . 10.0 107.847 175.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 23.6 mt -112.94 151.94 29.94 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 126.54 1.936 . . . . 10.0 110.553 -173.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.431 ' C ' ' H ' ' A' ' 63' ' ' LEU . 46.4 t0 -66.3 147.2 53.66 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.435 -0.348 . . . . 10.0 111.069 176.32 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -69.23 24.79 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.238 1.815 . . . . 10.0 113.302 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.431 ' H ' ' C ' ' A' ' 61' ' ' ASP . 96.6 mt -139.89 7.47 2.27 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 128.998 2.919 . . . . 10.0 111.847 -175.171 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.7 t -134.22 163.24 30.05 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.922 0.889 . . . . 10.0 112.772 172.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -145.09 94.68 2.56 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 127.257 2.223 . . . . 10.0 108.867 -172.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.02 -178.4 6.09 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.55 1.14 . . . . 10.0 112.313 172.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -85.33 144.99 41.59 Favored Pre-proline 0 CA--C 1.548 0.891 0 O-C-N 120.897 -1.127 . . . . 10.0 111.548 -169.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -74.29 47.72 1.64 Allowed 'Trans proline' 0 CA--C 1.547 1.137 1 C-N-CA 126.033 4.489 . . . . 10.0 114.065 -171.495 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.01 8.87 0.02 OUTLIER Glycine 0 CA--C 1.538 1.514 0 C-N-CA 127.132 2.301 . . . . 10.0 114.467 176.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -64.16 -27.3 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-N 119.7 1.75 . . . . 10.0 113.599 -169.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.5 t -70.77 -53.76 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 125.488 1.515 . . . . 10.0 109.895 173.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.99 -45.08 79.09 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 126.848 2.059 . . . . 10.0 110.438 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -64.56 -35.41 80.9 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 118.467 -0.778 . . . . 10.0 112.717 172.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.452 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -68.21 -42.06 80.39 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 120.162 1.346 . . . . 10.0 111.298 176.6 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 40.3 t -67.69 -45.2 85.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 125.626 1.57 . . . . 10.0 111.069 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -58.55 -42.86 88.85 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.915 1.686 . . . . 10.0 111.425 170.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.95 -41.4 99.5 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 118.45 0.568 . . . . 10.0 111.085 175.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.78 -39.8 95.13 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 118.902 0.774 . . . . 10.0 113.081 171.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -62.1 -43.13 99.51 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.508 1.049 . . . . 10.0 112.333 173.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 46.2 mtt-85 -66.88 -36.36 82.11 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.168 0.895 . . . . 10.0 111.77 173.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.4 t -63.0 -35.42 80.14 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.107 0.963 . . . . 10.0 111.123 174.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -63.77 -43.98 94.77 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.964 0.906 . . . . 10.0 112.103 172.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -62.31 -41.39 98.48 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 118.632 0.651 . . . . 10.0 111.149 174.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 73.0 m -65.07 -32.39 74.08 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.727 0.811 . . . . 10.0 112.718 174.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -66.93 -42.37 85.44 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.279 -0.888 . . . . 10.0 111.402 175.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -71.84 -34.14 69.03 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 119.226 0.921 . . . . 10.0 111.799 175.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -60.29 -36.54 78.09 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 118.854 0.752 . . . . 10.0 110.637 168.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -73.79 1.87 43.91 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 125.053 1.311 . . . . 10.0 114.626 176.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -127.96 -64.42 0.96 Allowed 'General case' 0 C--N 1.339 0.147 0 CA-C-N 118.397 1.099 . . . . 10.0 111.46 175.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 71.2 mtm180 -64.26 -42.08 96.64 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 117.6 -1.191 . . . . 10.0 112.629 -172.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.422 ' HG2' ' HA ' ' A' ' 1' ' ' MET 0.263 12.9 pt-20 . . . . . 0 C--O 1.253 1.282 0 O-C-N 126.189 2.181 . . . . 10.0 113.64 -169.115 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ttt . . . . . 0 N--CA 1.483 1.221 0 CA-C-O 118.451 -0.785 . . . . 10.0 109.381 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.4 m -55.27 103.92 0.11 Allowed 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.492 1.117 . . . . 10.0 112.998 176.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 mt -82.47 -175.3 5.65 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.865 1.666 . . . . 10.0 111.827 171.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.3 mtt85 -92.33 -162.33 0.92 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.357 1.063 . . . . 10.0 109.59 178.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.32 117.58 6.31 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 107.149 -1.426 . . . . 10.0 107.149 167.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 77.2 mt -74.32 105.99 5.74 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 122.602 1.191 . . . . 10.0 107.911 -169.199 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.7 p -144.87 178.38 8.06 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 127.647 2.379 . . . . 10.0 108.509 -167.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -48.01 -38.1 16.3 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.225 1.01 . . . . 10.0 113.664 -175.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.61 -63.03 5.17 Favored Glycine 0 CA--C 1.529 0.964 0 C-N-CA 123.804 0.716 . . . . 10.0 112.747 173.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.98 -37.5 74.33 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 117.463 0.631 . . . . 10.0 112.229 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.41 -39.85 85.54 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.588 1.329 . . . . 10.0 114.588 172.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -68.36 -37.82 80.83 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 120.025 1.284 . . . . 10.0 111.857 172.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -68.71 -38.69 80.44 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.009 0.924 . . . . 10.0 112.176 175.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.1 mt -64.78 -48.1 85.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 119.224 0.92 . . . . 10.0 109.349 170.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.2 m -58.94 -41.02 86.4 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.416 -0.802 . . . . 10.0 111.205 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.1 m -63.6 -43.7 96.15 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.167 1.387 . . . . 10.0 112.39 172.303 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -59.43 -42.59 92.24 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 118.987 0.812 . . . . 10.0 112.2 176.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.411 HD21 HD13 ' A' ' 82' ' ' LEU . 1.8 mm? -72.07 -39.03 69.31 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 117.877 -1.059 . . . . 10.0 112.552 177.47 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -56.28 -50.08 72.41 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 119.712 1.142 . . . . 10.0 111.292 169.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -64.62 -35.29 80.55 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 118.739 -0.648 . . . . 10.0 111.356 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.7 m -61.12 -47.26 87.1 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.21 0.914 . . . . 10.0 111.727 176.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.508 HG23 ' HB1' ' A' ' 74' ' ' ALA . 52.1 mt -69.31 -46.98 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 CA-C-N 118.547 0.612 . . . . 10.0 110.418 176.583 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.0 m -59.84 -43.91 94.38 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 118.356 0.525 . . . . 10.0 111.972 -179.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -65.86 -38.77 89.71 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 118.584 -0.722 . . . . 10.0 111.864 173.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -61.83 -45.91 91.76 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-N 119.672 1.124 . . . . 10.0 110.113 175.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.8 mt -61.29 -52.95 55.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-O 118.166 -0.921 . . . . 10.0 109.568 177.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.4 mp -62.19 -18.05 59.9 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.394 1.257 . . . . 10.0 114.394 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -99.71 0.56 42.07 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.539 1.136 . . . . 10.0 113.348 172.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.4 tpt85 -124.61 -26.57 3.82 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.811 1.244 . . . . 10.0 113.523 -176.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.2 t -143.21 145.84 22.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 127.727 2.411 . . . . 10.0 108.278 173.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.5 t -80.53 132.33 35.66 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 120.499 -1.376 . . . . 10.0 112.057 -175.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.26 -24.94 4.94 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.707 1.203 . . . . 10.0 113.333 168.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -70.68 -12.8 61.78 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.733 1.012 . . . . 10.0 113.733 174.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -97.99 -14.3 20.64 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.432 1.493 . . . . 10.0 111.986 172.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 69.3 mt -94.67 126.03 47.18 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 124.879 1.272 . . . . 10.0 109.696 -168.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.0 t -72.12 -52.4 24.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 C-N-CA 124.471 1.108 . . . . 10.0 108.69 169.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -162.12 174.12 13.39 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.624 0.77 . . . . 10.0 112.777 169.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.4 pt -133.11 133.04 58.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 C-N-CA 125.609 1.564 . . . . 10.0 109.542 171.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -117.67 107.18 13.9 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 108.697 -0.853 . . . . 10.0 108.697 -174.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 74.0 mt -131.02 117.59 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 123.493 0.717 . . . . 10.0 109.175 -172.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 96.7 m -119.91 129.82 54.53 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 125.531 1.532 . . . . 10.0 109.418 177.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.7 t -115.77 136.1 53.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 C-N-CA 124.534 1.134 . . . . 10.0 108.687 174.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -117.66 135.9 53.69 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.086 1.355 . . . . 10.0 108.277 174.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.6 p -139.96 130.94 31.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 123.625 0.77 . . . . 10.0 110.203 173.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -141.91 160.05 40.98 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.769 1.228 . . . . 10.0 111.223 -173.191 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -135.92 108.43 7.41 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 107.941 -1.133 . . . . 10.0 107.941 171.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 95.1 m -131.66 86.64 2.37 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.006 -1.059 . . . . 10.0 109.23 174.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.6 t70 65.0 -35.12 0.18 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 127.172 2.189 . . . . 10.0 113.434 -168.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -122.96 156.62 34.38 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.678 1.991 . . . . 10.0 110.04 168.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 tt -85.43 128.98 34.91 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.058 1.343 . . . . 10.0 109.068 176.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -128.04 139.98 52.23 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.797 1.239 . . . . 10.0 110.072 177.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 11.5 p -136.4 140.63 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 124.682 1.193 . . . . 10.0 109.917 174.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -141.03 146.24 36.95 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.581 1.552 . . . . 10.0 110.793 -173.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.6 mm -130.73 131.19 64.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 125.193 1.397 . . . . 10.0 108.617 -170.04 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.0 t -131.58 122.15 25.59 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.572 1.149 . . . . 10.0 109.409 169.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.28 143.93 50.91 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.02 0.928 . . . . 10.0 112.072 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.12 147.37 41.84 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 126.046 1.739 . . . . 10.0 111.221 177.637 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 59.5 tp -128.12 118.31 23.19 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 124.97 1.308 . . . . 10.0 110.678 -175.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -114.15 103.03 10.71 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 122.119 0.962 . . . . 10.0 109.854 178.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 42.9 mt -89.35 152.26 21.62 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 126.992 2.117 . . . . 10.0 111.492 176.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.437 ' C ' ' H ' ' A' ' 63' ' ' LEU . 37.5 t0 -62.56 147.51 48.86 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.276 170.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -64.95 18.95 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 127.773 2.429 . . . . 10.0 113.53 -178.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.437 ' H ' ' C ' ' A' ' 61' ' ' ASP . 97.3 mt -138.63 7.25 2.53 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 128.733 2.813 . . . . 10.0 112.306 -173.757 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.3 t -125.88 156.43 39.65 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.903 0.881 . . . . 10.0 111.682 169.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -140.59 94.64 2.75 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 126.905 2.082 . . . . 10.0 108.118 -174.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.86 178.51 7.27 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.704 1.201 . . . . 10.0 111.819 173.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -85.42 145.01 41.4 Favored Pre-proline 0 CA--C 1.546 0.814 0 O-C-N 120.881 -1.137 . . . . 10.0 112.05 -169.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -73.07 61.45 3.96 Favored 'Trans proline' 0 CA--C 1.543 0.933 1 C-N-CA 125.863 4.376 . . . . 10.0 112.79 -173.587 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 166.86 -10.3 0.06 OUTLIER Glycine 0 CA--C 1.536 1.401 0 C-N-CA 126.645 2.069 . . . . 10.0 114.034 -175.33 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.2 tt -57.98 -26.03 27.59 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 CA-C-N 119.431 1.615 . . . . 10.0 114.54 -173.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 96.9 t -76.85 -53.65 14.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 125.387 1.475 . . . . 10.0 110.477 171.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -53.11 -36.15 60.44 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.13 1.372 . . . . 10.0 111.721 177.013 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -63.65 -37.28 86.73 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 122.975 0.51 . . . . 10.0 111.625 171.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.508 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -69.23 -42.2 75.99 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 119.122 0.874 . . . . 10.0 111.006 178.483 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.484 HG12 ' CE2' ' A' ' 79' ' ' TYR . 1.5 t -70.36 -42.99 78.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-O 118.927 -0.559 . . . . 10.0 110.625 179.209 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -58.7 -42.07 87.78 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.283 1.433 . . . . 10.0 111.738 171.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.92 -41.87 99.61 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 118.82 -0.61 . . . . 10.0 111.246 174.042 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.5 -45.17 88.43 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.208 0.913 . . . . 10.0 112.704 173.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.484 ' CE2' HG12 ' A' ' 75' ' ' VAL . 46.8 m-85 -63.4 -43.66 96.89 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.305 0.957 . . . . 10.0 111.696 178.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -72.39 -37.26 68.75 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.108 0.963 . . . . 10.0 112.6 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.9 t -63.11 -43.69 97.73 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 119.153 -0.451 . . . . 10.0 110.165 172.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.411 HD13 HD21 ' A' ' 18' ' ' LEU . 14.5 tp -64.47 -47.12 80.17 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 118.115 0.416 . . . . 10.0 112.071 176.531 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -59.56 -41.53 90.35 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 119.197 -0.43 . . . . 10.0 111.383 177.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.4 t -72.22 -22.45 61.26 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 113.272 0.841 . . . . 10.0 113.272 175.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -80.98 -41.9 22.05 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.835 1.254 . . . . 10.0 112.907 178.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.82 -34.2 77.8 Favored 'General case' 0 C--N 1.35 0.594 0 CA-C-N 118.856 0.753 . . . . 10.0 110.84 169.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -71.94 8.8 1.1 Allowed 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 126.299 1.84 . . . . 10.0 113.306 169.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -134.41 41.74 1.43 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.039 -1.224 . . . . 10.0 110.039 168.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -167.41 -55.37 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.064 1.346 . . . . 10.0 113.358 -171.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 29.2 mtm105 -95.21 -11.93 27.2 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.616 0.766 . . . . 10.0 112.195 177.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 . . . . . 0 C--O 1.25 1.11 1 C-N-CA 132.616 4.366 . . . . 10.0 104.803 167.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.5 mtm . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 118.217 -0.897 . . . . 10.0 109.146 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.7 t 53.39 74.79 0.29 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.522 1.129 . . . . 10.0 113.163 175.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 62.3 mt -49.43 152.89 1.2 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.178 1.391 . . . . 10.0 114.43 -174.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 89.5 mtt-85 -137.32 -168.57 2.33 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 126.677 1.991 . . . . 10.0 109.951 -169.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.83 112.08 0.87 Allowed 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 107.332 -1.358 . . . . 10.0 107.332 166.787 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.8 mt -74.75 126.62 31.28 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 123.585 0.553 . . . . 10.0 111.402 -167.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.0 p -130.17 178.8 6.29 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 126.637 1.975 . . . . 10.0 109.754 177.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -48.01 -29.77 3.76 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.625 1.17 . . . . 10.0 113.493 174.105 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.19 -49.85 5.73 Favored Glycine 0 CA--C 1.532 1.13 0 CA-C-N 118.797 0.726 . . . . 10.0 113.406 176.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.62 -42.17 98.21 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.012 0.925 . . . . 10.0 111.01 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.6 mt -68.33 -35.19 77.41 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 118.365 -0.826 . . . . 10.0 111.432 176.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . 0.269 14.5 t0 -70.15 -35.71 74.22 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 114.548 1.314 . . . . 10.0 114.548 170.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -54.72 -42.86 72.05 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 120.277 1.399 . . . . 10.0 109.729 169.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.4 mt -64.89 -46.38 91.97 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 CA-C-O 118.318 -0.849 . . . . 10.0 111.414 172.077 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -43.17 89.25 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 120.625 1.557 . . . . 10.0 111.35 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.4 t -68.81 -37.47 79.24 Favored 'General case' 0 C--N 1.339 0.109 0 CA-C-O 118.026 -0.988 . . . . 10.0 111.829 175.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -60.68 -42.46 97.16 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.526 1.057 . . . . 10.0 111.688 176.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.439 HD21 HD13 ' A' ' 82' ' ' LEU . 1.5 mm? -72.96 -41.8 64.05 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 118.286 -0.864 . . . . 10.0 112.92 175.306 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -56.41 -47.87 78.13 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.335 0.97 . . . . 10.0 111.282 174.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -63.63 -38.47 91.25 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.246 0.618 . . . . 10.0 111.906 175.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 91.6 m -62.16 -46.46 88.86 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 119.363 0.983 . . . . 10.0 111.567 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.465 HG23 ' HB1' ' A' ' 74' ' ' ALA . 57.4 mt -69.63 -43.11 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 CA-C-N 118.361 0.528 . . . . 10.0 110.601 177.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 t -56.99 -50.7 71.91 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.075 0.55 . . . . 10.0 111.728 176.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.82 -38.97 87.26 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 118.175 -0.917 . . . . 10.0 113.278 173.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -61.53 -45.62 93.39 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 120.039 1.291 . . . . 10.0 111.119 175.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 70.0 mt -64.24 -53.13 47.15 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 123.962 0.905 . . . . 10.0 109.273 178.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.43 -19.41 64.68 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 113.878 1.066 . . . . 10.0 113.878 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -100.11 0.93 41.68 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.351 1.061 . . . . 10.0 112.989 175.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.4 ' HB3' HD11 ' A' ' 70' ' ' ILE . 47.6 mtt180 -116.12 -34.35 4.73 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.974 1.472 . . . . 10.0 114.974 169.541 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.9 p -138.22 140.14 40.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 124.912 1.285 . . . . 10.0 109.798 -174.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.1 t -78.92 135.96 37.12 Favored 'General case' 0 C--O 1.225 -0.217 0 O-C-N 121.515 -0.74 . . . . 10.0 110.956 -176.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.41 -25.13 3.57 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.642 1.177 . . . . 10.0 113.488 169.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -61.3 -20.23 62.67 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.992 1.108 . . . . 10.0 113.992 171.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -95.6 -13.37 24.44 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.457 1.903 . . . . 10.0 111.498 176.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.9 mm -106.6 123.86 61.77 Favored 'Isoleucine or valine' 0 C--N 1.343 0.289 0 C-N-CA 125.319 1.448 . . . . 10.0 110.198 -168.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 38.2 t -70.64 -51.88 33.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 C-N-CA 124.111 0.964 . . . . 10.0 109.477 169.229 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -165.96 177.16 7.26 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.493 0.717 . . . . 10.0 112.321 175.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.8 pt -132.27 142.71 42.0 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 125.165 1.386 . . . . 10.0 111.233 170.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -113.53 121.71 45.07 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 107.656 -1.239 . . . . 10.0 107.656 167.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.2 mt -131.21 120.23 46.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 108.219 -1.03 . . . . 10.0 108.219 174.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 86.1 m -119.77 124.87 47.23 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 124.79 1.236 . . . . 10.0 108.836 176.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.7 t -111.55 117.92 56.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 N-CA-C 106.566 -1.642 . . . . 10.0 106.566 170.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.0 mt -102.97 139.12 38.95 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 125.222 1.409 . . . . 10.0 108.163 174.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.9 p -139.08 139.4 40.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 108.309 -0.997 . . . . 10.0 108.309 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -148.75 153.57 38.36 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.924 0.89 . . . . 10.0 110.282 -169.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -133.48 102.48 5.53 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 121.433 0.635 . . . . 10.0 109.956 170.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.2 t -131.14 80.92 1.96 Allowed 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.727 1.211 . . . . 10.0 108.589 -178.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.9 t70 65.29 -39.55 0.28 Allowed 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 127.813 2.445 . . . . 10.0 113.247 -167.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -111.13 159.62 17.67 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 127.563 2.345 . . . . 10.0 111.064 168.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -85.44 129.0 34.91 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.762 1.225 . . . . 10.0 108.433 171.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -122.69 147.15 46.8 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.464 0.65 . . . . 10.0 111.148 169.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.5 p -136.13 132.72 50.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 126.033 1.733 . . . . 10.0 107.278 169.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -138.87 130.44 27.38 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.996 1.318 . . . . 10.0 107.509 -169.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.2 mt -126.29 131.6 71.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 123.034 0.534 . . . . 10.0 109.642 -169.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.4 t -131.44 126.56 35.4 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 125.144 1.378 . . . . 10.0 109.173 175.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.12 149.56 52.54 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.866 0.867 . . . . 10.0 111.164 177.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.26 146.67 40.7 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.626 1.57 . . . . 10.0 110.185 175.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 35.2 tp -127.94 104.24 7.69 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 125.82 1.648 . . . . 10.0 109.2 -172.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -91.48 104.67 17.15 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.286 -1.005 . . . . 10.0 108.286 -178.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.4 mt -82.01 151.75 26.99 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 124.995 1.318 . . . . 10.0 110.027 175.099 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.428 ' C ' ' H ' ' A' ' 63' ' ' LEU . 25.9 t0 -62.38 147.12 49.44 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.7 -0.682 . . . . 10.0 110.728 168.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -70.43 25.37 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 126.048 1.739 . . . . 10.0 113.088 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.428 ' H ' ' C ' ' A' ' 61' ' ' ASP . 1.0 OUTLIER -152.8 7.61 0.42 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 129.135 2.974 . . . . 10.0 111.776 -171.532 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.4 m -132.37 149.46 52.35 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.678 1.591 . . . . 10.0 111.342 -178.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -144.1 94.57 2.6 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.414 1.086 . . . . 10.0 110.366 -169.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.57 -171.53 3.68 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.922 1.289 . . . . 10.0 111.613 168.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -85.36 142.26 37.68 Favored Pre-proline 0 CA--C 1.547 0.858 0 O-C-N 120.589 -1.319 . . . . 10.0 112.041 -169.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -74.12 57.84 4.09 Favored 'Trans proline' 0 CA--C 1.544 1.007 1 C-N-CA 125.8 4.333 . . . . 10.0 113.049 -173.148 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 171.15 -10.88 0.04 OUTLIER Glycine 0 CA--C 1.536 1.349 0 C-N-CA 126.461 1.982 . . . . 10.0 114.34 -176.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.4 HD11 ' HB3' ' A' ' 29' ' ' ARG . 2.2 tt -53.64 -30.54 18.64 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 C-N-CA 125.568 1.547 . . . . 10.0 114.502 -172.006 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.8 t -75.17 -54.0 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.752 1.221 . . . . 10.0 110.439 177.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -58.34 -41.04 83.74 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.542 1.137 . . . . 10.0 111.347 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -63.93 -31.63 72.88 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 118.559 -0.734 . . . . 10.0 112.32 172.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.465 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -67.54 -40.41 85.01 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.88 1.218 . . . . 10.0 111.241 174.243 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.418 HG12 ' CE2' ' A' ' 79' ' ' TYR . 1.6 t -73.21 -43.07 57.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 118.372 -0.823 . . . . 10.0 110.839 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -58.74 -39.03 79.73 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 119.665 1.12 . . . . 10.0 110.662 169.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.83 -41.11 99.19 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 120.394 1.452 . . . . 10.0 111.222 175.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.96 -45.09 96.12 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.947 0.794 . . . . 10.0 112.772 170.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.418 ' CE2' HG12 ' A' ' 75' ' ' VAL . 50.7 m-85 -63.5 -43.03 98.41 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.403 1.001 . . . . 10.0 112.305 177.425 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.1 mmp_? -67.34 -43.25 82.0 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.073 1.749 . . . . 10.0 111.52 177.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 37.6 m -63.14 -45.59 91.23 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-O 118.322 -0.847 . . . . 10.0 110.059 174.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.439 HD13 HD21 ' A' ' 18' ' ' LEU . 15.4 tp -63.35 -41.38 98.86 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-N 118.685 0.675 . . . . 10.0 112.304 178.255 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -59.35 -41.53 89.43 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.846 0.858 . . . . 10.0 110.862 173.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 29.9 p -69.22 -31.72 70.49 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.25 0.833 . . . . 10.0 113.25 176.043 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -80.96 -42.23 21.59 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.449 1.1 . . . . 10.0 112.431 -178.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -69.64 -26.5 64.45 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.788 0.835 . . . . 10.0 111.546 175.023 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -59.44 -21.26 59.76 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 119.199 0.909 . . . . 10.0 111.383 166.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -84.4 -1.02 89.46 Favored Glycine 0 CA--C 1.536 1.398 0 CA-C-O 118.881 -0.955 . . . . 10.0 114.592 171.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -137.83 -2.47 1.91 Allowed 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 114.782 1.401 . . . . 10.0 114.782 -173.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.403 ' CZ ' ' HB3' ' A' ' 90' ' ' ARG . 7.9 mtp-105 -142.42 -47.04 0.34 Allowed 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 114.985 1.476 . . . . 10.0 114.985 -178.695 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 . . . . . 0 CA--C 1.556 1.187 0 C-N-CA 125.586 1.554 . . . . 10.0 112.201 -164.441 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.4 mtp . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 117.19 -1.386 . . . . 10.0 107.51 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m -63.81 -32.6 74.17 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.651 1.114 . . . . 10.0 112.716 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -143.29 -178.14 5.71 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.924 1.689 . . . . 10.0 112.415 -172.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -113.23 -179.2 3.57 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 126.317 1.847 . . . . 10.0 110.98 -176.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -59.32 113.17 2.03 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 108.376 -0.972 . . . . 10.0 108.376 168.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 mp -74.55 122.27 22.85 Favored 'General case' 0 N--CA 1.455 -0.209 0 O-C-N 123.783 0.677 . . . . 10.0 110.765 -168.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.9 t -141.27 -171.16 3.23 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.509 1.524 . . . . 10.0 109.488 173.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -50.32 -39.5 46.03 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.734 1.214 . . . . 10.0 112.166 -173.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.26 -46.69 93.4 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 123.837 0.732 . . . . 10.0 114.189 177.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.82 -44.0 94.55 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.803 1.301 . . . . 10.0 110.514 176.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.7 mp -66.01 -36.69 83.96 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.076 0.95 . . . . 10.0 113.263 176.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -66.84 -44.18 81.74 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.279 1.032 . . . . 10.0 111.562 170.308 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -62.01 -44.09 97.45 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 118.967 0.803 . . . . 10.0 111.541 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -64.75 -43.03 96.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 123.233 0.613 . . . . 10.0 110.721 173.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.4 m -61.33 -37.4 83.12 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 121.642 -0.661 . . . . 10.0 112.149 176.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.7 t -68.31 -43.94 76.52 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-O 117.86 -1.067 . . . . 10.0 110.841 171.081 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -56.94 -38.92 73.58 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 120.48 1.491 . . . . 10.0 111.974 177.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.3 mt -65.5 -51.45 59.93 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.68 0.792 . . . . 10.0 112.044 171.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -59.63 -46.36 89.24 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.918 0.781 . . . . 10.0 112.25 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -60.66 -42.41 96.97 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.061 1.344 . . . . 10.0 110.825 174.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.6 m -61.01 -47.31 87.05 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.209 0.913 . . . . 10.0 110.465 178.288 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.431 HG23 ' HB1' ' A' ' 74' ' ' ALA . 47.7 mt -62.79 -49.39 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-N 118.314 0.506 . . . . 10.0 110.465 176.636 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.2 t -59.05 -47.1 86.45 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.211 0.604 . . . . 10.0 112.186 -177.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -65.32 -38.48 90.3 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.736 -0.602 . . . . 10.0 111.943 176.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -66.85 -37.69 84.93 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.313 -0.867 . . . . 10.0 111.989 175.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.6 mt -62.2 -52.98 53.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 CA-C-O 118.267 -0.873 . . . . 10.0 109.071 171.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.1 mp -59.02 -30.44 68.01 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 113.602 0.964 . . . . 10.0 113.602 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.12 -17.62 52.05 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.763 1.023 . . . . 10.0 113.763 173.245 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -100.32 -31.21 11.45 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 114.344 1.238 . . . . 10.0 114.344 177.283 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 38.6 t -145.52 139.34 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 126.552 1.941 . . . . 10.0 108.972 -175.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.4 t -76.48 136.39 39.38 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 113.822 1.045 . . . . 10.0 113.822 -176.063 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.91 -24.62 3.74 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 123.908 0.883 . . . . 10.0 112.404 165.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -70.57 -22.63 62.56 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 114.71 1.374 . . . . 10.0 114.71 173.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -113.03 -11.47 13.36 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 119.701 1.137 . . . . 10.0 112.745 -177.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.1 mt -85.76 128.03 39.6 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 126.545 1.938 . . . . 10.0 108.301 168.074 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.6 t -73.49 -49.17 38.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 123.851 0.86 . . . . 10.0 109.568 168.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -161.84 174.89 12.53 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 121.706 0.765 . . . . 10.0 112.747 172.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 pp -130.56 143.24 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 C-N-CA 125.21 1.404 . . . . 10.0 110.559 169.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -119.16 127.97 53.82 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 106.318 -1.734 . . . . 10.0 106.318 168.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 62.3 mt -131.31 126.52 58.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 N-CA-C 107.317 -1.364 . . . . 10.0 107.317 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 94.7 m -118.95 117.58 29.21 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 107.744 -1.206 . . . . 10.0 107.744 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.6 t -115.69 123.05 70.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 N-CA-C 107.394 -1.335 . . . . 10.0 107.394 169.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.8 mt -117.77 138.25 52.18 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 124.072 0.949 . . . . 10.0 108.542 171.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.6 p -139.57 131.08 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 C-N-CA 124.114 0.966 . . . . 10.0 108.673 -179.31 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -147.28 159.77 43.28 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.961 0.905 . . . . 10.0 110.348 -169.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -135.82 113.34 10.81 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.422 0.689 . . . . 10.0 109.746 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 98.6 m -131.86 86.46 2.34 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 120.966 -1.084 . . . . 10.0 109.946 171.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.3 t70 64.6 -36.26 0.19 Allowed 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 127.289 2.235 . . . . 10.0 113.728 -168.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -119.8 156.15 31.18 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 128.099 2.56 . . . . 10.0 110.347 169.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 53.7 tp -85.35 129.3 34.84 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 126.351 1.861 . . . . 10.0 110.503 177.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -126.65 147.3 49.93 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.769 0.795 . . . . 10.0 111.213 168.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 8.9 p -136.11 141.8 40.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 C-N-CA 125.415 1.486 . . . . 10.0 107.975 172.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -141.35 125.81 17.7 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.479 1.512 . . . . 10.0 108.8 -166.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.8 mt -132.19 132.53 60.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 123.474 0.71 . . . . 10.0 111.577 -169.015 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.4 t -130.37 139.91 50.63 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.351 1.461 . . . . 10.0 108.944 167.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.43 143.36 50.39 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.284 0.633 . . . . 10.0 110.496 169.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -131.49 136.61 48.04 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.845 1.658 . . . . 10.0 109.503 -173.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -115.02 122.39 46.06 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 125.492 1.517 . . . . 10.0 108.731 -177.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -114.09 102.78 10.49 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 107.851 -1.166 . . . . 10.0 107.851 172.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -82.4 152.09 26.33 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 126.243 1.817 . . . . 10.0 111.615 177.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.415 ' C ' ' H ' ' A' ' 63' ' ' LEU . 32.5 t0 -58.46 147.29 32.19 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 112.176 0.436 . . . . 10.0 112.176 168.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.48 25.2 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 128.545 2.738 . . . . 10.0 113.671 -178.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.415 ' H ' ' C ' ' A' ' 61' ' ' ASP . 28.4 tp -145.01 1.59 0.99 Allowed 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 129.033 2.933 . . . . 10.0 111.259 -173.194 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.7 m -129.1 155.91 44.71 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.089 1.356 . . . . 10.0 111.775 -169.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -151.56 94.84 2.05 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.542 1.137 . . . . 10.0 109.507 -171.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.66 -173.24 3.7 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.764 1.626 . . . . 10.0 113.038 178.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -85.46 141.58 36.81 Favored Pre-proline 0 CA--C 1.546 0.825 0 O-C-N 120.771 -1.205 . . . . 10.0 110.275 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -73.89 50.54 2.15 Favored 'Trans proline' 0 CA--C 1.548 1.191 1 C-N-CA 125.879 4.386 . . . . 10.0 113.053 -177.474 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 177.74 4.62 0.02 OUTLIER Glycine 0 CA--C 1.542 1.779 0 C-N-CA 127.771 2.605 . . . . 10.0 114.705 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.2 tt -62.82 -25.31 38.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 CA-C-N 119.472 1.636 . . . . 10.0 114.354 -169.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.4 p -86.14 -37.13 11.38 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.209 0 C-N-CA 124.338 1.055 . . . . 10.0 112.613 176.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.65 -36.18 61.8 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.878 1.271 . . . . 10.0 110.723 173.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -63.65 -40.93 98.1 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.746 0.819 . . . . 10.0 111.478 172.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.431 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -68.13 -42.39 80.24 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.942 0.792 . . . . 10.0 111.943 177.357 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.458 HG12 ' CE2' ' A' ' 79' ' ' TYR . 1.8 t -69.71 -45.25 78.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 CA-C-N 118.279 0.491 . . . . 10.0 110.952 -179.208 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -58.67 -40.12 82.61 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.622 1.169 . . . . 10.0 111.002 172.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.51 94.77 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 120.916 -1.115 . . . . 10.0 112.822 172.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.07 -42.72 96.88 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.434 1.016 . . . . 10.0 112.318 172.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.458 ' CE2' HG12 ' A' ' 75' ' ' VAL . 49.2 m-85 -62.78 -43.21 99.4 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.791 -0.568 . . . . 10.0 112.011 174.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -72.29 -38.9 68.64 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 118.364 -0.827 . . . . 10.0 112.824 178.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.6 p -63.2 -40.62 98.03 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 119.266 0.939 . . . . 10.0 110.909 174.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 29.9 tp -64.03 -47.05 81.74 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 118.837 -0.601 . . . . 10.0 112.089 174.085 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -64.66 -41.29 96.19 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 118.881 0.764 . . . . 10.0 111.5 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.6 t -72.12 -19.26 61.82 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.472 0.916 . . . . 10.0 113.472 176.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -81.12 -42.39 21.02 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.38 1.072 . . . . 10.0 111.097 169.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -60.02 -29.7 68.67 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.457 1.103 . . . . 10.0 113.515 175.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -55.86 -10.88 0.84 Allowed 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 126.048 1.739 . . . . 10.0 113.804 167.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -126.65 11.6 7.05 Favored Glycine 0 CA--C 1.54 1.639 0 C-N-CA 124.905 1.24 . . . . 10.0 114.329 169.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -128.26 -9.11 5.28 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.904 1.282 . . . . 10.0 113.844 -173.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.4 mtp85 -146.06 -52.16 0.24 Allowed 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.708 1.373 . . . . 10.0 114.708 169.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 . . . . . 0 C--O 1.252 1.2 0 CA-C-O 116.254 -1.832 . . . . 10.0 114.521 -166.672 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.6 mtt . . . . . 0 N--CA 1.481 1.082 0 CA-C-O 118.045 -0.979 . . . . 10.0 109.285 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 m -127.14 0.77 6.47 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 113.612 0.967 . . . . 10.0 113.612 176.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 97.8 mt -69.12 179.31 1.95 Allowed 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.091 1.757 . . . . 10.0 111.968 174.196 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -135.97 178.14 7.28 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.641 1.976 . . . . 10.0 108.383 -178.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.61 107.0 0.11 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.449 1.1 . . . . 10.0 110.946 171.284 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.3 mt -77.82 106.24 9.53 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 121.758 -0.589 . . . . 10.0 110.258 -174.136 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.2 t -148.74 -166.98 2.7 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.781 0.832 . . . . 10.0 110.79 -178.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -59.11 23.61 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 130.851 3.66 . . . . 10.0 115.818 -176.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.46 -49.04 0.04 OUTLIER Glycine 0 CA--C 1.526 0.779 0 C-N-CA 125.736 1.636 . . . . 10.0 111.145 171.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.14 -42.54 75.84 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.409 1.484 . . . . 10.0 111.328 179.133 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.9 mt -69.91 -31.99 70.06 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.068 0.947 . . . . 10.0 112.151 170.262 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -67.82 -41.09 83.6 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 122.995 0.518 . . . . 10.0 111.635 174.049 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -61.93 -39.2 91.23 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.146 -0.971 . . . . 10.0 112.423 172.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 78.8 mt -64.93 -43.78 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 121.402 -0.811 . . . . 10.0 110.444 172.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.9 m -61.07 -40.97 95.71 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.715 0.806 . . . . 10.0 111.572 176.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.3 t -63.31 -43.88 96.58 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 125.734 1.614 . . . . 10.0 111.593 172.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -58.38 -42.49 87.18 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.776 0.716 . . . . 10.0 111.933 173.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.95 -51.14 68.06 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.514 0.597 . . . . 10.0 111.835 174.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -59.35 -44.03 92.72 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.37 0.668 . . . . 10.0 112.177 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -64.46 -40.1 95.07 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 118.685 -0.674 . . . . 10.0 111.479 173.156 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.3 m -61.16 -47.22 87.19 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.423 1.01 . . . . 10.0 111.83 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.479 HG23 ' HB1' ' A' ' 74' ' ' ALA . 39.3 mt -61.16 -44.75 98.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 CA-C-N 118.554 0.615 . . . . 10.0 110.209 174.292 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.8 m -60.44 -50.99 71.38 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.631 0.773 . . . . 10.0 111.729 -178.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -58.76 -38.57 78.78 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 115.686 1.736 . . . . 10.0 115.686 169.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -64.46 -45.89 85.47 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.283 0.947 . . . . 10.0 110.286 177.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.5 mt -61.6 -49.43 84.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 124.559 1.143 . . . . 10.0 110.38 176.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.9 -10.67 14.28 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 114.309 1.226 . . . . 10.0 114.309 176.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.2 mtmm -118.24 14.77 13.95 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.118 1.367 . . . . 10.0 112.413 172.246 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.67 -38.67 3.43 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 126.994 2.118 . . . . 10.0 113.226 169.677 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.0 p -146.43 151.64 14.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.798 1.239 . . . . 10.0 110.879 -175.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.3 t -80.51 124.13 28.68 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 121.563 -0.711 . . . . 10.0 111.774 -174.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.84 -24.84 3.83 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.28 1.432 . . . . 10.0 113.705 169.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -58.15 -19.79 35.68 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 113.992 1.108 . . . . 10.0 113.992 170.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -102.98 -8.65 20.47 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.894 1.677 . . . . 10.0 112.197 178.111 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.6 mm -97.39 119.82 45.93 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 C-N-CA 124.723 1.209 . . . . 10.0 108.771 -172.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.5 t -68.91 -50.12 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 C-N-CA 124.352 1.061 . . . . 10.0 109.271 170.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -164.03 177.05 8.77 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.389 0.885 . . . . 10.0 113.389 171.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.1 pt -131.2 142.53 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 125.55 1.54 . . . . 10.0 110.364 169.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -129.1 117.76 21.37 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 124.321 1.049 . . . . 10.0 109.095 173.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.3 mt -128.58 126.36 65.21 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 N-CA-C 107.828 -1.175 . . . . 10.0 107.828 -174.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 53.6 m -119.6 117.6 28.76 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 125.171 1.388 . . . . 10.0 107.682 178.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 m -115.77 120.21 64.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 126.475 1.91 . . . . 10.0 108.161 177.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.0 mp -117.64 138.84 51.69 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 124.533 1.133 . . . . 10.0 108.592 176.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.8 p -139.77 134.68 38.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 123.725 0.81 . . . . 10.0 108.948 172.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -145.98 156.37 43.45 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.718 1.207 . . . . 10.0 109.538 -174.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -130.42 108.36 9.91 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 109.453 -0.573 . . . . 10.0 109.453 174.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.8 t -131.26 80.69 1.95 Allowed 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.615 1.166 . . . . 10.0 108.525 -179.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.6 t70 62.65 -37.26 0.14 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 128.128 2.571 . . . . 10.0 113.785 -167.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -120.23 159.88 24.07 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 128.802 2.841 . . . . 10.0 109.841 171.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 63.0 tp -85.05 129.3 34.82 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.535 1.534 . . . . 10.0 110.096 -177.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -116.63 130.73 56.91 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.444 1.098 . . . . 10.0 109.104 172.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.9 p -136.25 124.65 36.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 C-N-CA 124.575 1.15 . . . . 10.0 108.692 171.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -135.02 133.53 39.51 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 124.46 1.104 . . . . 10.0 109.634 -167.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 38.2 mt -132.04 127.17 57.66 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.116 0 C-N-CA 123.981 0.912 . . . . 10.0 108.831 -169.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.8 m -131.87 133.03 44.17 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 123.705 0.802 . . . . 10.0 109.832 168.311 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.21 142.08 50.13 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.654 0.781 . . . . 10.0 110.512 176.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -131.4 139.67 49.49 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.787 1.635 . . . . 10.0 109.396 172.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.7 tp -128.06 115.2 18.09 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 126.33 1.852 . . . . 10.0 108.007 -170.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -107.37 110.08 21.97 Favored 'General case' 0 CA--C 1.528 0.105 0 N-CA-C 109.643 -0.503 . . . . 10.0 109.643 -172.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -82.22 151.95 26.63 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 126.596 1.959 . . . . 10.0 110.941 176.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.431 ' C ' ' H ' ' A' ' 63' ' ' LEU . 34.2 t0 -61.38 147.53 44.58 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.245 167.126 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -64.9 29.29 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 127.439 2.296 . . . . 10.0 113.139 177.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.431 ' H ' ' C ' ' A' ' 61' ' ' ASP . 8.0 tp -150.74 2.78 0.46 Allowed 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 128.618 2.767 . . . . 10.0 112.602 -172.53 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.8 t -141.59 164.39 30.33 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 119.707 1.14 . . . . 10.0 112.142 171.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -145.48 94.72 2.55 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 127.036 2.134 . . . . 10.0 109.005 -169.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.89 174.81 2.77 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.482 0.713 . . . . 10.0 112.262 169.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -85.29 142.67 38.23 Favored Pre-proline 0 CA--C 1.546 0.79 0 O-C-N 120.912 -1.118 . . . . 10.0 112.026 -168.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -73.99 58.88 4.27 Favored 'Trans proline' 0 CA--C 1.544 1.021 1 C-N-CA 125.842 4.361 . . . . 10.0 113.258 -170.248 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 172.27 -11.66 0.04 OUTLIER Glycine 0 CA--C 1.536 1.384 0 C-N-CA 126.593 2.044 . . . . 10.0 114.132 -178.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.5 tt -55.28 -28.61 21.99 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 C-N-CA 125.721 1.608 . . . . 10.0 114.745 -173.173 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 79.5 t -80.1 -49.34 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 126.116 1.766 . . . . 10.0 111.292 176.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -57.13 -38.0 72.83 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.536 1.135 . . . . 10.0 111.262 174.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -63.84 -39.72 94.88 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 118.808 -0.615 . . . . 10.0 111.523 170.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.479 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -66.93 -41.17 87.47 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 119.62 1.1 . . . . 10.0 111.674 179.214 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 45.9 t -65.51 -50.76 70.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 125.23 1.412 . . . . 10.0 110.659 177.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -58.68 -39.08 79.66 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 119.202 0.91 . . . . 10.0 112.018 171.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.27 -38.13 89.97 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 119.49 1.041 . . . . 10.0 111.397 176.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.08 -43.56 91.78 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 118.641 0.655 . . . . 10.0 112.134 169.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -62.72 -43.4 98.91 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 119.213 0.915 . . . . 10.0 113.195 176.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.411 HH21 ' CD ' ' A' ' 83' ' ' GLU . 2.8 mtp180 -71.88 -34.69 69.38 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.653 0.781 . . . . 10.0 110.854 177.573 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.9 m -63.49 -39.19 93.79 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.772 -0.58 . . . . 10.0 111.552 170.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.0 tp -66.02 -42.5 89.55 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 123.522 0.729 . . . . 10.0 112.096 173.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.411 ' CD ' HH21 ' A' ' 80' ' ' ARG . 80.6 tt0 -59.5 -41.29 89.55 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.352 0.661 . . . . 10.0 111.195 175.393 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.8 m -71.75 -29.3 64.36 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.49 0.922 . . . . 10.0 113.49 170.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -67.18 -42.45 84.21 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.224 -0.923 . . . . 10.0 110.762 176.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -70.22 -32.51 70.44 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.763 1.165 . . . . 10.0 112.303 174.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -59.9 -10.29 3.87 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.696 1.198 . . . . 10.0 113.088 169.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -119.01 17.33 10.72 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 125.052 1.31 . . . . 10.0 113.939 171.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -141.84 -35.34 0.45 Allowed 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 115.557 1.688 . . . . 10.0 115.557 -175.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 73.9 mtp85 -88.47 -31.91 18.52 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-O 118.294 -0.86 . . . . 10.0 111.608 175.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 . . . . . 0 C--O 1.252 1.231 0 C-N-CA 125.018 1.327 . . . . 10.0 107.839 165.618 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.5 ttt . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 118.061 -0.971 . . . . 10.0 108.919 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.1 m 61.76 87.24 0.1 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.925 1.29 . . . . 10.0 114.152 172.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.429 HD23 ' H ' ' A' ' 3' ' ' LEU . 1.4 pt? -58.3 168.91 0.95 Allowed 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.409 1.084 . . . . 10.0 112.274 169.08 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.38 -158.64 0.66 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.345 1.458 . . . . 10.0 108.143 171.07 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -62.61 131.89 50.55 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 120.92 -1.113 . . . . 10.0 108.407 169.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.2 mp -74.54 113.2 11.51 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 108.68 -0.859 . . . . 10.0 108.68 -173.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.3 t -149.32 175.16 11.67 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 125.77 1.628 . . . . 10.0 109.588 -169.048 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -61.9 41.22 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 129.973 3.309 . . . . 10.0 114.044 173.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.62 -58.68 0.01 OUTLIER Glycine 0 CA--C 1.528 0.905 0 C-N-CA 128.282 2.848 . . . . 10.0 109.214 176.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.01 -44.47 96.64 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 117.83 0.815 . . . . 10.0 111.782 173.013 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.4 mt -67.1 -41.23 86.6 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.025 0.53 . . . . 10.0 111.433 179.059 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -70.21 -35.87 74.19 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 114.394 1.257 . . . . 10.0 114.394 174.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -54.83 -43.33 72.9 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.677 1.126 . . . . 10.0 110.503 169.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 92.2 mt -65.18 -42.61 94.62 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 C-N-CA 123.342 0.657 . . . . 10.0 111.689 172.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.72 -43.28 90.09 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 119.565 1.075 . . . . 10.0 111.18 176.313 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.9 t -67.56 -43.87 79.62 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 125.192 1.397 . . . . 10.0 111.553 177.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -59.72 -42.62 93.48 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 118.601 0.637 . . . . 10.0 111.841 175.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.6 mt -68.54 -44.8 73.79 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.266 0.626 . . . . 10.0 111.898 176.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -58.62 -49.18 78.43 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.374 0.534 . . . . 10.0 111.29 175.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -60.7 -39.4 88.4 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-O 118.588 -0.72 . . . . 10.0 112.029 173.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.8 m -61.02 -42.8 99.15 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.715 1.143 . . . . 10.0 111.264 -178.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.473 HG23 ' HB1' ' A' ' 74' ' ' ALA . 45.5 mt -70.44 -47.31 66.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 CA-C-N 118.294 0.497 . . . . 10.0 110.971 172.649 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.1 t -60.78 -48.17 83.01 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.205 0.602 . . . . 10.0 112.073 -175.304 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -66.63 -33.68 76.19 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.459 1.104 . . . . 10.0 112.457 175.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -62.64 -45.92 90.6 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 119.683 1.129 . . . . 10.0 110.427 171.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.0 mt -63.63 -50.03 79.84 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 123.987 0.915 . . . . 10.0 110.271 178.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -59.01 -18.97 39.34 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.031 1.332 . . . . 10.0 113.743 178.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -112.66 9.67 19.31 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.55 1.14 . . . . 10.0 112.462 176.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.69 -38.78 4.19 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.553 1.941 . . . . 10.0 112.461 169.031 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.411 HG11 HD21 ' A' ' 60' ' ' LEU . 10.7 t -142.06 146.68 22.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 125.63 1.572 . . . . 10.0 109.639 -177.707 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.1 t -79.84 136.31 36.67 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 114.934 1.457 . . . . 10.0 114.934 -168.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.69 -24.82 9.32 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 120.975 -1.078 . . . . 10.0 113.232 167.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -71.21 -22.7 61.98 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.918 1.081 . . . . 10.0 113.918 173.22 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -113.97 2.82 15.14 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.063 0.945 . . . . 10.0 112.466 -177.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 73.5 mt -99.14 125.82 52.56 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 126.434 1.894 . . . . 10.0 107.728 172.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.5 t -71.32 -53.32 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 C-N-CA 124.289 1.036 . . . . 10.0 109.069 169.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -164.44 177.06 8.47 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.667 0.787 . . . . 10.0 112.162 172.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.9 pt -134.0 129.62 54.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 125.484 1.514 . . . . 10.0 111.048 174.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -97.27 119.76 36.39 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 107.842 -1.17 . . . . 10.0 107.842 168.159 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 87.2 mt -131.18 121.08 48.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 N-CA-C 108.683 -0.858 . . . . 10.0 108.683 172.277 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 71.5 m -119.74 117.89 29.42 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 125.112 1.365 . . . . 10.0 108.383 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.4 t -115.7 120.15 63.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 124.475 1.11 . . . . 10.0 108.838 172.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.4 mp -117.71 139.32 51.19 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.819 1.647 . . . . 10.0 109.089 175.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.9 p -136.78 137.25 47.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 O-C-N 121.559 -0.713 . . . . 10.0 109.194 176.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -149.9 152.08 34.48 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.492 1.117 . . . . 10.0 109.793 -168.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -139.0 101.74 4.36 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 106.83 -1.545 . . . . 10.0 106.83 178.292 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -130.82 81.53 2.0 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 126.264 1.825 . . . . 10.0 107.565 -169.426 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.5 t70 68.92 -34.82 0.28 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 127.655 2.382 . . . . 10.0 112.503 -167.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -133.94 159.81 39.61 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.257 1.823 . . . . 10.0 110.234 169.269 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 40.4 tp -85.03 128.91 34.83 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.423 1.489 . . . . 10.0 109.381 -177.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -135.88 147.44 48.19 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 122.231 1.015 . . . . 10.0 111.428 174.043 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.0 p -136.16 133.12 50.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 125.199 1.399 . . . . 10.0 108.345 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -117.94 129.18 55.46 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 126.078 1.751 . . . . 10.0 107.449 -174.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 31.7 mt -130.15 127.34 63.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 N-CA-C 108.177 -1.046 . . . . 10.0 108.177 178.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.0 m -131.87 133.98 45.22 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 123.718 0.807 . . . . 10.0 109.997 168.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.26 145.92 52.1 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.034 0.934 . . . . 10.0 110.829 174.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.76 147.37 39.01 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.489 1.515 . . . . 10.0 110.202 174.53 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 68.0 tp -127.97 104.22 7.68 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 125.485 1.514 . . . . 10.0 110.393 -169.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -94.02 102.96 15.05 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 108.785 -0.82 . . . . 10.0 108.785 -178.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.411 HD21 HG11 ' A' ' 30' ' ' VAL . 77.1 mt -87.45 152.07 22.53 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 125.318 1.447 . . . . 10.0 112.356 179.192 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -59.63 147.11 38.55 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.502 -0.772 . . . . 10.0 110.742 169.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -72.58 36.41 0.07 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.296 1.839 . . . . 10.0 113.715 -175.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.0 tt -146.97 -37.94 0.21 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 127.098 2.159 . . . . 10.0 111.182 -169.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.9 m -86.99 159.24 19.06 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.555 0.742 . . . . 10.0 112.465 175.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -150.07 94.76 2.19 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.168 1.387 . . . . 10.0 108.493 -174.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.7 -178.03 6.89 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.048 1.339 . . . . 10.0 112.579 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -85.36 143.2 38.69 Favored Pre-proline 0 CA--C 1.548 0.877 0 O-C-N 120.822 -1.173 . . . . 10.0 112.169 -168.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -74.23 58.35 4.3 Favored 'Trans proline' 0 CA--C 1.544 1.014 1 C-N-CA 125.886 4.391 . . . . 10.0 113.726 -169.611 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 177.75 -19.78 0.04 OUTLIER Glycine 0 CA--C 1.534 1.251 0 C-N-CA 126.356 1.932 . . . . 10.0 113.711 -178.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.2 tt -53.33 -24.5 8.61 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 N-CA-C 116.213 1.931 . . . . 10.0 116.213 -169.139 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 92.1 t -79.31 -56.98 5.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 125.005 1.322 . . . . 10.0 110.765 173.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -55.79 -36.21 67.15 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.708 1.203 . . . . 10.0 111.502 176.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -63.82 -32.01 73.37 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.793 0.837 . . . . 10.0 112.138 172.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.473 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -68.94 -40.73 78.82 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 119.333 0.97 . . . . 10.0 111.137 174.022 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.459 HG12 ' CE2' ' A' ' 79' ' ' TYR . 1.6 t -69.86 -43.05 79.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 122.647 0.379 . . . . 10.0 110.641 178.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -58.69 -41.26 85.82 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.601 1.56 . . . . 10.0 111.541 172.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.97 -42.07 99.72 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-O 118.962 -0.542 . . . . 10.0 111.832 172.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.06 -43.57 98.55 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.106 0.866 . . . . 10.0 112.63 172.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.459 ' CE2' HG12 ' A' ' 75' ' ' VAL . 46.5 m-85 -63.83 -43.22 96.84 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.852 0.751 . . . . 10.0 112.017 177.299 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 58.8 mtt-85 -72.55 -33.92 67.15 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 118.96 0.8 . . . . 10.0 112.592 178.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.9 t -63.05 -43.7 97.88 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-O 118.533 -0.746 . . . . 10.0 110.109 170.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 23.8 tp -62.65 -44.25 96.75 Favored 'General case' 0 C--N 1.343 0.296 0 CA-C-O 118.282 -0.866 . . . . 10.0 112.739 174.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -58.74 -41.5 86.6 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 118.98 0.809 . . . . 10.0 111.579 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . 0.332 38.6 m -90.07 -17.65 27.36 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 114.696 1.369 . . . . 10.0 114.696 178.513 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -64.46 -42.31 96.01 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 107.286 -1.376 . . . . 10.0 107.286 164.053 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -67.06 -32.83 74.28 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.992 1.317 . . . . 10.0 113.788 173.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -55.49 -19.97 11.32 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 119.651 1.114 . . . . 10.0 111.786 167.051 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -117.47 16.74 12.58 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 125.466 1.507 . . . . 10.0 113.858 175.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -136.43 -27.49 1.06 Allowed 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 118.781 1.291 . . . . 10.0 113.945 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -145.51 -28.47 0.44 Allowed 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 115.74 1.756 . . . . 10.0 115.74 176.341 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . 0.283 13.7 pt-20 . . . . . 0 C--O 1.256 1.426 0 CA-C-O 116.72 -1.609 . . . . 10.0 113.267 -166.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 109.628 -0.508 . . . . 10.0 109.628 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.6 p -74.33 51.98 0.46 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.484 1.514 . . . . 10.0 112.93 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.26 167.3 4.2 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.692 1.597 . . . . 10.0 113.012 -174.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.47 170.17 16.92 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.133 1.373 . . . . 10.0 111.725 -168.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.4 mmtt -62.17 121.76 13.9 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 107.899 -1.149 . . . . 10.0 107.899 167.239 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.408 ' H ' HD12 ' A' ' 6' ' ' LEU . 4.9 mp -74.7 112.17 10.63 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 109.676 -0.491 . . . . 10.0 109.676 -172.533 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.3 t -132.59 -176.07 3.97 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.8 0.84 . . . . 10.0 109.674 170.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -46.68 -39.77 12.0 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.224 1.409 . . . . 10.0 113.218 -172.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.45 -56.41 19.93 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 123.815 0.721 . . . . 10.0 113.386 175.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.82 -37.32 86.95 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.084 0.954 . . . . 10.0 111.675 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.9 mt -69.7 -37.42 76.58 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.204 1.002 . . . . 10.0 112.034 177.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -67.2 -42.68 83.76 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.899 0.772 . . . . 10.0 111.408 169.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -63.44 -38.64 91.92 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.382 0.992 . . . . 10.0 112.938 174.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 52.1 mt -64.94 -43.61 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 O-C-N 121.129 -0.982 . . . . 10.0 110.392 171.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.4 m -61.16 -41.19 96.32 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.404 0.682 . . . . 10.0 111.398 175.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.9 t -63.27 -43.91 96.6 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.211 1.404 . . . . 10.0 111.915 172.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -61.21 -41.02 96.12 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.099 0.96 . . . . 10.0 112.066 174.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.2 mt -62.37 -51.38 67.81 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.569 0.748 . . . . 10.0 111.683 172.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.9 t-160 -58.94 -47.72 84.07 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 118.325 0.511 . . . . 10.0 111.673 179.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -62.71 -37.15 85.36 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 118.684 -0.674 . . . . 10.0 111.932 175.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.9 m -61.14 -46.2 91.54 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.526 1.057 . . . . 10.0 111.232 176.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.436 HG23 ' HB1' ' A' ' 74' ' ' ALA . 52.4 mt -65.97 -45.73 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 CA-C-N 118.516 0.598 . . . . 10.0 110.591 175.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.8 t -56.47 -51.14 69.57 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.33 0.652 . . . . 10.0 112.077 177.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.93 -39.0 87.79 Favored 'General case' 0 C--N 1.342 0.25 0 N-CA-C 113.871 1.063 . . . . 10.0 113.871 172.11 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -65.47 -45.57 83.19 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.997 1.271 . . . . 10.0 110.704 179.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.8 mt -59.82 -53.12 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-O 117.879 -1.058 . . . . 10.0 109.354 174.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.02 -24.46 67.93 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.795 1.179 . . . . 10.0 114.068 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -91.83 1.98 56.81 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.737 1.215 . . . . 10.0 112.696 174.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -119.32 -30.9 4.8 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.248 1.419 . . . . 10.0 114.321 173.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.5 p -151.44 154.09 8.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 127.673 2.389 . . . . 10.0 109.34 177.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.5 t -108.18 136.72 47.38 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 120.264 -1.523 . . . . 10.0 112.7 -169.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.67 -24.78 3.58 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.035 1.334 . . . . 10.0 113.862 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 pptp? -53.53 -17.94 2.44 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 116.043 1.868 . . . . 10.0 116.043 169.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -122.48 6.82 9.53 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.12 1.368 . . . . 10.0 114.493 177.329 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 73.0 mt -106.8 128.3 61.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 127.332 2.253 . . . . 10.0 109.318 178.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.9 t -69.44 -54.01 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 123.515 0.726 . . . . 10.0 110.523 170.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -164.06 177.04 8.76 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.868 0.867 . . . . 10.0 112.157 174.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.8 pp -131.22 143.22 41.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 125.263 1.425 . . . . 10.0 111.254 171.449 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -109.95 119.67 40.07 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 107.643 -1.243 . . . . 10.0 107.643 167.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 80.7 mt -131.09 113.64 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 N-CA-C 108.214 -1.032 . . . . 10.0 108.214 173.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 48.9 m -119.79 120.52 36.77 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 125.047 1.339 . . . . 10.0 109.067 177.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.5 m -115.51 124.19 71.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 126.051 1.74 . . . . 10.0 108.445 -178.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 mp -117.83 133.03 56.34 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 124.768 1.227 . . . . 10.0 108.564 -177.27 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.6 p -139.6 134.66 39.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 123.244 0.618 . . . . 10.0 110.046 177.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -147.43 159.87 43.21 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.471 1.109 . . . . 10.0 110.658 -170.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -129.99 109.04 10.56 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 108.829 -0.804 . . . . 10.0 108.829 172.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.2 80.67 1.95 Allowed 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.517 1.527 . . . . 10.0 108.008 -176.258 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.1 t70 63.85 -29.61 0.1 Allowed 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 127.06 2.144 . . . . 10.0 113.684 -167.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -132.44 159.84 38.15 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.951 2.501 . . . . 10.0 109.629 169.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -85.06 128.47 34.65 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 124.905 1.282 . . . . 10.0 108.43 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -129.95 150.32 51.29 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.945 0.898 . . . . 10.0 111.168 176.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.7 p -136.0 147.97 27.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 125.46 1.504 . . . . 10.0 108.511 174.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -141.29 146.35 36.66 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 123.849 0.86 . . . . 10.0 111.308 170.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.417 HG21 HD11 ' A' ' 22' ' ' ILE . 21.9 mt -132.25 109.01 14.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 C-N-CA 125.023 1.329 . . . . 10.0 109.84 -169.106 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.1 m -103.86 122.17 44.59 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 108.699 -0.852 . . . . 10.0 108.699 171.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.17 141.2 50.05 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.481 0.712 . . . . 10.0 110.942 172.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.74 147.11 38.64 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.701 1.6 . . . . 10.0 110.348 178.289 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 66.2 tp -128.02 104.33 7.73 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 125.839 1.656 . . . . 10.0 110.59 -170.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -93.17 102.72 15.02 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 108.767 -0.827 . . . . 10.0 108.767 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.4 mt -82.31 151.91 26.53 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.618 1.167 . . . . 10.0 111.674 176.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.435 ' C ' ' H ' ' A' ' 63' ' ' LEU . 32.3 t0 -62.77 147.71 49.03 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.236 0.458 . . . . 10.0 112.236 168.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -64.84 18.5 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 127.642 2.377 . . . . 10.0 113.812 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.435 ' H ' ' C ' ' A' ' 61' ' ' ASP . 94.1 mt -137.52 7.37 2.8 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 128.946 2.898 . . . . 10.0 111.592 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.2 m -115.8 143.31 45.58 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 125.148 1.379 . . . . 10.0 111.697 -172.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -139.7 94.68 2.8 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.308 1.443 . . . . 10.0 108.469 178.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.74 -170.65 3.21 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.879 1.272 . . . . 10.0 111.995 170.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -85.6 143.29 38.23 Favored Pre-proline 0 CA--C 1.546 0.819 0 O-C-N 121.182 -0.949 . . . . 10.0 111.28 -175.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -73.58 58.5 3.86 Favored 'Trans proline' 0 CA--C 1.545 1.056 1 C-N-CA 125.666 4.244 . . . . 10.0 112.647 -177.253 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 169.07 -1.82 0.04 OUTLIER Glycine 0 CA--C 1.538 1.478 0 C-N-CA 126.656 2.074 . . . . 10.0 114.739 -178.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.3 tt -59.47 -26.37 34.1 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 119.171 1.486 . . . . 10.0 114.676 -170.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.4 t -80.7 -50.33 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 124.509 1.124 . . . . 10.0 109.536 174.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.85 -39.56 65.74 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.752 2.021 . . . . 10.0 111.6 178.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -63.68 -38.17 90.09 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.948 0.899 . . . . 10.0 111.162 173.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.436 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -69.64 -41.58 75.42 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.753 0.706 . . . . 10.0 111.4 178.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.501 HG12 ' CE2' ' A' ' 79' ' ' TYR . 2.0 t -67.77 -44.98 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-O 119.179 -0.439 . . . . 10.0 110.528 178.048 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -58.62 -42.93 89.38 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.574 1.15 . . . . 10.0 111.612 172.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.97 -40.48 97.85 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 118.672 -0.68 . . . . 10.0 111.584 174.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.72 -45.14 87.82 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.371 0.987 . . . . 10.0 112.59 173.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.501 ' CE2' HG12 ' A' ' 75' ' ' VAL . 50.4 m-85 -61.24 -43.22 99.23 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.015 0.825 . . . . 10.0 111.869 175.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -72.44 -38.57 68.28 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.838 0.855 . . . . 10.0 112.399 179.163 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 45.5 t -63.0 -41.96 99.72 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.966 0.906 . . . . 10.0 110.343 174.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 24.1 tp -61.36 -46.96 88.04 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 118.178 -0.915 . . . . 10.0 111.925 172.119 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -64.21 -41.13 97.17 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 120.168 1.349 . . . . 10.0 112.077 178.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 71.7 m -65.23 -23.03 66.95 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 113.8 1.037 . . . . 10.0 113.8 173.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -81.08 -42.07 21.59 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.474 1.109 . . . . 10.0 112.79 169.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.17 -12.89 22.33 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.835 1.654 . . . . 10.0 112.881 174.149 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -44.22 -45.1 8.29 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.685 1.194 . . . . 10.0 110.039 165.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -72.77 -4.64 62.37 Favored Glycine 0 CA--C 1.539 1.541 0 N-CA-C 115.309 0.883 . . . . 10.0 115.309 179.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -116.05 -26.36 7.31 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.793 1.637 . . . . 10.0 113.076 178.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 49.5 mtm180 -132.49 -18.38 2.5 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 115.235 1.569 . . . . 10.0 115.235 -169.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 . . . . . 0 C--O 1.252 1.212 0 C-N-CA 125.512 1.525 . . . . 10.0 112.971 -173.776 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.6 mtt . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 118.448 -0.787 . . . . 10.0 109.291 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.2 t -148.51 14.31 0.97 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.079 0.952 . . . . 10.0 113.262 170.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 57.5 mt -73.2 -176.31 2.13 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-O 122.036 0.922 . . . . 10.0 111.335 168.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -132.02 168.26 18.24 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 126.565 1.946 . . . . 10.0 111.024 -173.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.6 mmtt -65.02 106.91 1.36 Allowed 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 104.715 -2.328 . . . . 10.0 104.715 164.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 80.6 mt -74.84 105.87 6.1 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 121.054 0.454 . . . . 10.0 110.384 -168.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.5 p -103.57 177.04 4.95 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.647 1.579 . . . . 10.0 110.71 176.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -49.06 -37.71 21.91 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.855 0.862 . . . . 10.0 111.597 169.164 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.49 -46.44 85.29 Favored Glycine 0 CA--C 1.531 1.047 0 CA-C-N 118.491 0.587 . . . . 10.0 113.424 176.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.98 -38.78 86.66 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 117.725 0.762 . . . . 10.0 110.864 178.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.7 mp -64.49 -38.96 92.85 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 114.244 1.201 . . . . 10.0 114.244 169.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -67.13 -40.53 86.8 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 119.326 0.966 . . . . 10.0 111.697 172.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -63.5 -44.17 95.1 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 118.907 0.776 . . . . 10.0 111.654 174.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.2 mt -64.99 -45.41 94.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 O-C-N 121.64 -0.662 . . . . 10.0 110.727 175.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.6 m -63.2 -38.11 89.9 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.886 -0.509 . . . . 10.0 111.443 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.9 m -66.9 -43.91 82.19 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.545 1.138 . . . . 10.0 111.565 173.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -60.11 -41.82 93.41 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.371 0.668 . . . . 10.0 111.74 175.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 81.9 mt -63.96 -49.87 70.85 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 118.135 -0.936 . . . . 10.0 111.779 174.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -55.39 -49.97 70.94 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 119.618 1.099 . . . . 10.0 112.24 173.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -62.99 -38.39 90.99 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 109.806 -0.442 . . . . 10.0 109.806 -176.203 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.5 m -61.05 -47.27 87.16 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.321 0.648 . . . . 10.0 111.554 176.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.564 HG23 ' HB1' ' A' ' 74' ' ' ALA . 56.7 mt -65.68 -48.29 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 CA-C-N 119.029 0.831 . . . . 10.0 110.553 176.628 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.8 m -61.26 -44.48 97.17 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.207 0.603 . . . . 10.0 111.961 -177.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -68.41 -38.68 81.49 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 118.671 -0.681 . . . . 10.0 111.837 174.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -60.24 -43.81 95.76 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 119.692 1.133 . . . . 10.0 111.367 173.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 27.4 mt -59.92 -52.5 60.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 C-N-CA 124.272 1.029 . . . . 10.0 109.709 175.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -61.14 -26.43 67.68 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.515 0.932 . . . . 10.0 113.515 177.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -82.38 -17.57 45.06 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 114.006 1.113 . . . . 10.0 114.006 173.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -104.01 -30.72 10.1 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 117.713 -1.136 . . . . 10.0 113.645 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.4 t -143.83 144.29 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.909 1.284 . . . . 10.0 110.063 178.004 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.4 t -74.53 136.24 42.17 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.67 -0.644 . . . . 10.0 112.677 178.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.44 -25.06 5.69 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.695 0.798 . . . . 10.0 112.394 167.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.3 tttm -65.7 -11.5 45.74 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.613 1.338 . . . . 10.0 114.613 175.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -124.71 9.52 8.3 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.164 0.985 . . . . 10.0 112.744 171.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.6 mt -102.61 126.62 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 C-N-CA 124.711 1.204 . . . . 10.0 108.088 172.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.7 t -70.84 -52.71 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 C-N-CA 124.384 1.073 . . . . 10.0 109.855 171.16 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -164.17 177.15 8.6 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.987 0.915 . . . . 10.0 112.343 178.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.9 pt -137.61 142.99 35.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.565 1.546 . . . . 10.0 111.632 170.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -113.81 118.67 34.91 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 124.995 1.318 . . . . 10.0 108.492 168.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.9 mt -131.27 121.65 49.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 N-CA-C 108.446 -0.946 . . . . 10.0 108.446 175.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 52.1 m -119.72 119.16 32.85 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 126.178 1.791 . . . . 10.0 108.466 176.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.0 t -115.55 120.65 65.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 N-CA-C 107.935 -1.135 . . . . 10.0 107.935 172.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 mp -117.85 139.26 51.35 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 125.378 1.471 . . . . 10.0 109.246 178.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.3 p -134.33 138.0 50.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 C-N-CA 123.947 0.899 . . . . 10.0 108.725 177.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -145.75 157.53 43.93 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.759 1.223 . . . . 10.0 110.637 -167.047 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -148.54 99.54 3.02 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.578 -0.701 . . . . 10.0 109.998 175.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.3 p -131.03 80.9 1.96 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.248 1.419 . . . . 10.0 109.247 -179.212 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.2 t70 64.92 -35.33 0.18 Allowed 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 127.491 2.317 . . . . 10.0 113.355 -168.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -108.04 149.57 28.26 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.619 1.968 . . . . 10.0 108.993 168.005 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.9 tt -85.24 127.51 34.33 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 107.631 -1.248 . . . . 10.0 107.631 171.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.1 tptt -129.89 146.51 51.61 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.492 0.663 . . . . 10.0 111.443 -178.345 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.8 p -136.17 145.57 30.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 124.735 1.214 . . . . 10.0 108.006 169.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -130.41 136.26 48.86 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 126.01 1.724 . . . . 10.0 108.19 175.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 21.8 mt -132.25 110.17 16.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 N-CA-C 107.41 -1.33 . . . . 10.0 107.41 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.0 t -117.97 122.11 42.39 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 108.436 -0.95 . . . . 10.0 108.436 175.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.28 138.35 49.24 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.073 0.949 . . . . 10.0 110.099 179.182 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -140.51 143.8 35.63 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.839 1.256 . . . . 10.0 109.818 172.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.12 127.46 43.06 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 125.353 1.461 . . . . 10.0 109.916 -171.449 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -107.71 102.93 12.11 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 107.994 -1.113 . . . . 10.0 107.994 -175.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.0 mt -86.91 151.94 22.87 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.583 1.153 . . . . 10.0 112.139 178.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -60.48 146.97 42.85 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 115.81 -0.632 . . . . 10.0 111.614 169.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -65.0 -8.13 14.65 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.508 1.299 . . . . 10.0 114.508 -178.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.25 11.99 9.46 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.139 1.776 . . . . 10.0 112.704 177.071 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 78.4 p -59.8 169.74 1.33 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.401 1.88 . . . . 10.0 113.734 169.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -148.67 94.74 2.32 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 122.16 0.981 . . . . 10.0 110.616 177.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -142.63 170.29 15.97 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.791 1.636 . . . . 10.0 112.813 -174.128 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -85.7 142.32 36.93 Favored Pre-proline 0 CA--C 1.55 0.963 0 N-CA-C 113.254 0.835 . . . . 10.0 113.254 -169.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -74.83 57.02 4.33 Favored 'Trans proline' 0 CA--C 1.547 1.158 1 C-N-CA 125.833 4.356 . . . . 10.0 112.988 -176.759 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 172.35 -5.24 0.03 OUTLIER Glycine 0 CA--C 1.539 1.547 0 C-N-CA 126.277 1.894 . . . . 10.0 115.18 -176.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.2 tt -55.69 -20.12 7.59 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 C-N-CA 126.667 1.987 . . . . 10.0 115.741 -172.032 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 57.9 t -78.66 -53.46 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 125.78 1.632 . . . . 10.0 111.188 175.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -53.01 -36.1 60.12 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.179 1.392 . . . . 10.0 111.373 176.179 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -63.58 -34.64 78.26 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 122.871 0.468 . . . . 10.0 111.516 173.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.564 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -70.6 -41.2 72.6 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-N 119.024 0.829 . . . . 10.0 111.258 178.227 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.49 HG12 ' CE2' ' A' ' 79' ' ' TYR . 1.7 t -67.98 -44.58 84.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 C-N-CA 122.712 0.405 . . . . 10.0 110.378 178.295 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -59.15 -42.02 89.71 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.749 1.619 . . . . 10.0 111.6 172.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.03 -41.66 99.59 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.658 0.663 . . . . 10.0 111.845 173.18 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.09 -42.65 99.43 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 119.105 0.866 . . . . 10.0 112.37 172.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.49 ' CE2' HG12 ' A' ' 75' ' ' VAL . 47.3 m-85 -63.59 -43.34 97.24 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.066 0.848 . . . . 10.0 112.323 176.208 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 73.0 mtt-85 -68.18 -39.26 82.56 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 118.784 0.72 . . . . 10.0 111.686 176.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.0 t -65.84 -29.66 70.16 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-O 117.526 -1.226 . . . . 10.0 112.448 174.04 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 33.0 tp -69.59 -43.58 72.52 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 119.91 1.232 . . . . 10.0 111.387 172.159 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -60.33 -41.51 93.73 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 118.26 0.482 . . . . 10.0 110.977 173.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.1 t -71.85 -30.17 65.17 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.303 0.853 . . . . 10.0 113.303 177.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -68.81 -42.23 77.54 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.161 0.985 . . . . 10.0 110.611 174.013 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.9 mt -74.9 -34.31 62.16 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 118.685 0.675 . . . . 10.0 112.389 177.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -58.6 -34.66 71.37 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 167.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -69.8 -11.25 65.77 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 123.904 0.764 . . . . 10.0 114.224 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -131.65 0.13 3.95 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 114.505 1.298 . . . . 10.0 114.505 -173.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 78.8 mtm180 -139.11 -42.27 0.47 Allowed 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 117.154 -1.403 . . . . 10.0 113.308 176.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 . . . . . 0 C--O 1.256 1.403 0 O-C-N 125.787 1.93 . . . . 10.0 110.518 -167.529 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 m -71.12 56.25 0.21 Allowed 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.03 1.732 . . . . 10.0 113.575 -176.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 84.1 mt -116.41 155.43 28.54 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.899 1.28 . . . . 10.0 112.488 -168.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 32.3 ttp180 -152.36 172.56 16.29 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.227 1.411 . . . . 10.0 110.173 -169.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -59.58 116.54 4.08 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.962 0.905 . . . . 10.0 109.885 174.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 65.9 mt -74.87 127.98 34.48 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 122.835 0.454 . . . . 10.0 110.751 -177.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.5 t -157.17 -168.05 2.51 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 125.478 1.511 . . . . 10.0 109.977 -176.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -69.04 36.63 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 129.706 3.202 . . . . 10.0 113.349 -177.003 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.15 -45.26 0.02 OUTLIER Glycine 0 CA--C 1.528 0.85 0 C-N-CA 126.654 2.073 . . . . 10.0 110.729 169.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.14 -35.05 73.79 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.707 1.203 . . . . 10.0 113.104 176.053 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.1 mt -67.43 -42.45 83.13 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.131 -0.981 . . . . 10.0 110.676 172.07 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.54 -39.87 92.63 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.01 1.324 . . . . 10.0 111.587 172.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -59.65 -43.96 93.71 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.241 1.016 . . . . 10.0 111.495 171.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.5 mt -64.93 -47.87 86.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-N 119.47 1.032 . . . . 10.0 110.945 176.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.51 -41.2 93.85 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.148 0.886 . . . . 10.0 111.281 175.024 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.8 t -60.9 -43.75 98.07 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.126 -0.984 . . . . 10.0 112.329 174.132 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -62.13 -41.67 98.48 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.734 1.214 . . . . 10.0 111.983 175.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.5 mt -65.12 -47.38 77.37 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.204 0.602 . . . . 10.0 111.705 173.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.7 t-160 -59.11 -46.85 87.26 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.434 0.694 . . . . 10.0 111.389 176.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -60.6 -41.81 95.53 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.815 0.846 . . . . 10.0 111.574 173.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.0 m -61.01 -44.43 97.43 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 118.617 0.644 . . . . 10.0 110.727 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.62 HG23 ' HB1' ' A' ' 74' ' ' ALA . 72.0 mt -70.58 -43.98 77.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-O 118.509 -0.757 . . . . 10.0 111.444 176.439 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.51 -51.86 57.42 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 119.123 0.874 . . . . 10.0 110.92 175.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -71.39 -37.44 71.55 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 114.86 -1.064 . . . . 10.0 111.235 -173.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -58.84 -45.88 89.02 Favored 'General case' 0 C--N 1.345 0.385 0 CA-C-O 119.089 -0.482 . . . . 10.0 110.749 169.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.2 mt -63.58 -48.71 85.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-N 119.005 0.821 . . . . 10.0 110.077 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.31 -11.1 13.3 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.151 1.167 . . . . 10.0 114.151 174.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.3 mtpt -111.13 4.78 19.61 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.757 1.623 . . . . 10.0 112.968 174.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -124.56 -25.55 4.0 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.254 1.422 . . . . 10.0 112.795 177.753 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 23.9 t -144.24 152.43 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 126.284 1.834 . . . . 10.0 109.189 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.9 t -90.2 136.8 32.82 Favored 'General case' 0 N--CA 1.464 0.227 0 O-C-N 121.167 -0.958 . . . . 10.0 112.672 -178.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.42 -24.4 3.05 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.779 1.232 . . . . 10.0 112.323 168.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.91 -31.88 13.37 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.754 1.222 . . . . 10.0 113.897 168.006 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -121.34 -15.82 8.02 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 114.561 1.319 . . . . 10.0 114.561 -178.404 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 44.7 mm -70.93 105.77 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 N-CA-C 107.961 -1.125 . . . . 10.0 107.961 169.304 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.4 t -68.97 -49.08 66.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 N-CA-C 109.141 -0.689 . . . . 10.0 109.141 170.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -161.86 177.06 10.2 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 121.398 0.618 . . . . 10.0 112.191 171.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 pp -134.85 143.13 38.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 125.282 1.433 . . . . 10.0 111.23 170.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -112.25 129.61 56.21 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 105.185 -2.154 . . . . 10.0 105.185 165.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 68.5 mt -131.36 124.59 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 N-CA-C 107.84 -1.171 . . . . 10.0 107.84 174.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.6 t -119.77 119.08 32.58 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.529 0.68 . . . . 10.0 109.891 169.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.7 m -115.87 117.25 54.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 C-N-CA 125.54 1.536 . . . . 10.0 108.582 177.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.3 mt -118.02 139.11 51.67 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 125.354 1.461 . . . . 10.0 109.603 -172.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.4 p -139.57 137.41 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 C-N-CA 123.889 0.876 . . . . 10.0 110.403 178.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -149.05 159.85 43.85 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.185 1.794 . . . . 10.0 109.336 -173.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -141.6 105.16 4.69 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 108.228 -1.027 . . . . 10.0 108.228 174.103 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.3 p -131.17 80.97 1.96 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 126.341 1.856 . . . . 10.0 108.686 -173.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.0 t70 65.97 -33.16 0.18 Allowed 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 127.472 2.309 . . . . 10.0 113.479 -168.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -123.19 159.96 27.55 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 127.774 2.43 . . . . 10.0 108.912 169.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.8 tp -84.59 129.07 34.89 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 106.858 -1.534 . . . . 10.0 106.858 175.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -125.97 136.91 53.55 Favored 'General case' 0 CA--C 1.526 0.031 0 C-N-CA 123.831 0.853 . . . . 10.0 109.551 -178.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.7 p -136.35 142.2 39.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 124.852 1.261 . . . . 10.0 108.297 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -140.76 141.07 34.87 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.197 0.599 . . . . 10.0 110.964 176.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 26.4 mt -132.87 129.4 57.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 C-N-CA 124.297 1.039 . . . . 10.0 111.207 -174.007 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.1 t -128.85 136.6 50.68 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 107.594 -1.261 . . . . 10.0 107.594 164.321 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.2 138.21 49.29 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.941 -0.763 . . . . 10.0 108.941 170.218 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -125.1 135.81 53.04 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 124.953 1.301 . . . . 10.0 108.621 -175.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.3 mt -116.8 104.34 11.23 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 125.055 1.342 . . . . 10.0 109.216 -172.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -97.68 102.87 14.73 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 108.036 -1.098 . . . . 10.0 108.036 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -85.17 151.88 23.78 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.149 1.38 . . . . 10.0 111.44 176.08 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.41 ' C ' ' H ' ' A' ' 63' ' ' LEU . 45.4 t0 -61.93 147.06 48.05 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.337 0.655 . . . . 10.0 111.603 169.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -71.06 20.0 0.05 OUTLIER 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.875 1.67 . . . . 10.0 113.363 -179.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.41 ' H ' ' C ' ' A' ' 61' ' ' ASP . 14.4 mt -144.75 17.42 1.63 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 129.647 3.179 . . . . 10.0 111.037 -174.273 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.6 m -154.03 146.15 23.71 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 119.971 -1.705 . . . . 10.0 111.65 172.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -137.76 94.6 2.92 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.462 1.105 . . . . 10.0 109.438 -167.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.91 -176.74 4.06 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 124.821 1.249 . . . . 10.0 111.642 169.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -85.58 144.08 39.54 Favored Pre-proline 0 CA--C 1.546 0.815 0 O-C-N 120.67 -1.268 . . . . 10.0 112.216 -169.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -75.28 60.37 5.62 Favored 'Trans proline' 0 CA--C 1.543 0.96 0 C-N-CA 125.197 3.931 . . . . 10.0 112.702 -175.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.16 -3.43 0.03 OUTLIER Glycine 0 CA--C 1.534 1.272 0 N-CA-C 116.637 1.415 . . . . 10.0 116.637 -178.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 78.0 mt -59.56 -26.15 33.69 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 CA-C-N 120.18 1.99 . . . . 10.0 113.111 -176.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.02 -53.27 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 123.621 0.768 . . . . 10.0 110.826 169.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -58.45 -41.0 84.17 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.738 0.815 . . . . 10.0 110.404 177.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -63.75 -41.38 98.02 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 122.477 0.311 . . . . 10.0 111.277 174.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.62 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -69.06 -44.49 72.5 Favored 'General case' 0 C--N 1.344 0.339 0 O-C-N 121.752 -0.593 . . . . 10.0 111.661 -177.491 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.453 HG12 ' CE2' ' A' ' 79' ' ' TYR . 22.0 t -76.17 -33.74 24.85 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-O 118.006 -0.997 . . . . 10.0 110.187 -176.611 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -58.73 -43.04 90.07 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 120.558 1.526 . . . . 10.0 111.481 167.117 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.01 -41.87 99.68 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 122.016 -0.427 . . . . 10.0 110.966 176.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.58 -44.87 92.81 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 118.713 -0.661 . . . . 10.0 112.746 172.083 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.453 ' CE2' HG12 ' A' ' 75' ' ' VAL . 29.7 m-85 -63.82 -43.54 95.92 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 119.523 1.056 . . . . 10.0 111.73 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 40.6 mtm180 -72.47 -34.42 67.71 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 118.512 0.596 . . . . 10.0 111.961 178.159 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.6 t -66.45 -25.84 66.92 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 118.172 -0.918 . . . . 10.0 112.95 169.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 25.2 tp -80.82 -37.73 29.57 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 119.181 0.901 . . . . 10.0 111.903 174.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -59.07 -41.12 87.2 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.544 1.066 . . . . 10.0 110.698 169.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.5 t -62.76 -27.66 69.44 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.118 0.967 . . . . 10.0 113.35 173.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -81.06 -42.26 21.32 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.61 1.164 . . . . 10.0 112.446 174.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -70.61 -15.8 62.78 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.648 1.579 . . . . 10.0 113.725 178.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -49.98 -13.32 0.1 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 127.864 2.466 . . . . 10.0 114.565 169.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -119.93 15.35 10.34 Favored Glycine 0 CA--C 1.536 1.36 0 CA-C-N 119.104 0.866 . . . . 10.0 114.715 171.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -125.8 -34.9 2.56 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.323 1.449 . . . . 10.0 113.035 -178.429 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 61.1 mtp85 -106.16 -18.53 13.99 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.422 0.689 . . . . 10.0 112.705 174.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.1 mp0 . . . . . 0 C--O 1.255 1.367 0 C-N-CA 127.117 2.167 . . . . 10.0 110.957 -178.838 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.479 1.01 0 CA-C-O 117.483 -1.246 . . . . 10.0 108.751 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.2 m 63.41 173.64 0.16 Allowed 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.959 1.304 . . . . 10.0 113.863 -175.32 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.447 ' H ' HD12 ' A' ' 3' ' ' LEU . 4.9 mp -67.62 166.9 14.09 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.521 1.128 . . . . 10.0 110.779 168.747 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.12 177.49 5.7 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 121.266 0.555 . . . . 10.0 110.506 170.221 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.491 ' O ' ' HE2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -49.8 115.5 1.4 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.636 1.174 . . . . 10.0 109.3 166.427 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.1 mt -82.27 115.78 21.49 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.391 -0.818 . . . . 10.0 110.423 -173.014 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.4 t -153.64 -170.31 3.55 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.653 1.181 . . . . 10.0 110.521 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -58.29 24.54 0.0 OUTLIER 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 131.318 3.847 . . . . 10.0 115.967 -178.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.14 -54.9 0.03 OUTLIER Glycine 0 CA--C 1.524 0.6 0 C-N-CA 126.066 1.793 . . . . 10.0 110.004 171.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -67.39 -41.85 84.31 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.778 0.831 . . . . 10.0 112.363 178.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.7 mt -68.93 -34.01 74.66 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.376 -0.828 . . . . 10.0 111.672 170.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -70.15 -35.71 74.23 Favored 'General case' 0 C--O 1.224 -0.247 0 N-CA-C 113.082 0.771 . . . . 10.0 113.082 175.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -54.99 -40.94 70.61 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.229 0.922 . . . . 10.0 110.067 168.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 82.2 mt -67.95 -43.16 85.9 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 CA-C-O 118.611 -0.709 . . . . 10.0 112.164 171.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.7 -42.58 88.92 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 119.9 1.227 . . . . 10.0 111.14 176.572 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.9 t -67.65 -43.97 79.02 Favored 'General case' 0 N--CA 1.458 -0.07 0 C-N-CA 126.625 1.97 . . . . 10.0 111.24 177.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -59.51 -42.65 92.71 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.679 0.672 . . . . 10.0 111.768 174.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 81.5 mt -67.84 -50.73 55.0 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.16 0.584 . . . . 10.0 111.607 178.363 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -58.23 -48.47 80.3 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.083 0.553 . . . . 10.0 111.418 176.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -61.24 -38.82 88.05 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 118.898 -0.572 . . . . 10.0 111.82 176.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.5 m -61.19 -47.08 87.79 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.084 0.856 . . . . 10.0 110.846 178.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.9 mt -62.81 -44.69 99.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-N 118.554 0.615 . . . . 10.0 110.413 174.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.5 t -59.67 -51.2 70.83 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.301 0.64 . . . . 10.0 112.538 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -58.45 -38.79 78.26 Favored 'General case' 0 C--N 1.344 0.352 0 N-CA-C 114.265 1.209 . . . . 10.0 114.265 169.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -71.26 -40.43 70.98 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.527 1.058 . . . . 10.0 109.025 -176.031 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 42.5 mt -59.9 -49.02 85.51 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 124.457 1.103 . . . . 10.0 110.172 171.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -60.93 -24.94 66.41 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.487 1.04 . . . . 10.0 113.604 175.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.9 mttp -97.6 9.38 42.65 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.789 1.636 . . . . 10.0 112.655 175.275 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -121.79 -39.0 2.67 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.774 1.63 . . . . 10.0 113.534 175.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.5 p -143.84 145.37 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 124.399 1.08 . . . . 10.0 111.679 -175.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.5 t -68.38 112.62 5.35 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.112 0.965 . . . . 10.0 112.058 -177.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.46 -24.87 5.51 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.295 1.438 . . . . 10.0 114.015 170.23 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -65.38 -8.39 18.32 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.02 1.119 . . . . 10.0 114.02 171.124 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -117.67 3.18 12.35 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.842 2.057 . . . . 10.0 111.2 176.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.3 mm -100.75 120.95 50.95 Favored 'Isoleucine or valine' 0 C--N 1.34 0.187 0 C-N-CA 125.036 1.334 . . . . 10.0 108.376 177.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.3 t -68.98 -50.44 53.82 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 C-N-CA 124.545 1.138 . . . . 10.0 109.314 171.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -165.34 177.18 7.73 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.852 0.861 . . . . 10.0 112.171 175.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.0 pt -135.89 140.17 44.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 125.036 1.334 . . . . 10.0 111.216 169.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -107.47 121.32 44.37 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 107.311 -1.366 . . . . 10.0 107.311 167.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 79.9 mt -131.09 122.57 51.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 N-CA-C 108.199 -1.038 . . . . 10.0 108.199 172.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 58.3 m -119.79 121.17 38.53 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 125.454 1.502 . . . . 10.0 108.49 176.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.6 t -115.65 123.87 71.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 C-N-CA 124.431 1.092 . . . . 10.0 108.115 171.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 mp -117.73 139.15 51.45 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 125.576 1.55 . . . . 10.0 109.093 175.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.2 p -139.52 131.3 34.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 C-N-CA 123.727 0.811 . . . . 10.0 109.334 175.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -144.68 159.91 42.06 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.186 1.394 . . . . 10.0 110.672 -172.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -141.13 106.27 4.99 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 108.831 -0.803 . . . . 10.0 108.831 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.8 t -131.37 80.88 1.95 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.917 1.287 . . . . 10.0 108.851 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.0 t70 64.79 -44.75 0.32 Allowed 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 127.738 2.415 . . . . 10.0 112.607 -166.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -99.12 153.76 18.65 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.736 2.014 . . . . 10.0 109.674 167.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 57.7 tp -85.32 129.31 34.84 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.42 1.488 . . . . 10.0 109.211 169.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.88 137.23 53.72 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.515 0.726 . . . . 10.0 110.457 174.652 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.2 p -136.2 132.47 49.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 C-N-CA 125.066 1.346 . . . . 10.0 108.284 172.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -137.3 134.58 36.24 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 124.759 1.224 . . . . 10.0 108.936 -169.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 42.5 mt -132.18 130.44 60.69 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.112 0 N-CA-C 108.172 -1.047 . . . . 10.0 108.172 -171.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.4 m -131.9 130.31 41.45 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 123.664 0.786 . . . . 10.0 109.601 168.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.22 142.01 50.11 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.128 0.971 . . . . 10.0 110.415 176.144 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -139.51 147.46 41.3 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.018 1.327 . . . . 10.0 110.428 176.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.6 tp -124.47 105.35 9.33 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 126.18 1.792 . . . . 10.0 110.568 -168.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -91.47 102.8 15.47 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 108.512 -0.922 . . . . 10.0 108.512 177.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.3 mt -82.3 151.74 26.61 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 125.676 1.59 . . . . 10.0 111.813 173.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -62.26 133.55 55.3 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 108.42 -0.956 . . . . 10.0 108.42 166.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 pm0 -64.89 -5.85 6.98 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 114.93 1.456 . . . . 10.0 114.93 -175.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.9 tt -92.2 -7.23 48.88 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.407 1.083 . . . . 10.0 113.001 169.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.6 t -105.35 167.89 9.44 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.705 1.139 . . . . 10.0 112.7 179.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -157.58 94.92 1.4 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.921 1.688 . . . . 10.0 109.887 -169.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.93 -173.46 2.98 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.081 1.352 . . . . 10.0 112.42 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -85.3 144.82 41.4 Favored Pre-proline 0 CA--C 1.549 0.905 0 O-C-N 120.631 -1.293 . . . . 10.0 112.002 -168.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -73.64 45.74 1.11 Allowed 'Trans proline' 0 CA--C 1.547 1.161 1 C-N-CA 126.276 4.651 . . . . 10.0 114.803 -169.295 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.16 9.21 0.02 OUTLIER Glycine 0 CA--C 1.538 1.508 0 C-N-CA 127.097 2.284 . . . . 10.0 114.328 176.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 8.4 tt -66.39 -19.24 25.37 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 CA-C-N 119.014 1.407 . . . . 10.0 114.393 -169.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.3 t -83.65 -50.63 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 124.386 1.074 . . . . 10.0 110.053 171.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -55.52 -41.18 72.79 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.81 1.244 . . . . 10.0 111.659 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -64.04 -29.84 70.95 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.191 0.811 . . . . 10.0 113.191 174.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.24 -36.28 74.39 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 118.453 0.57 . . . . 10.0 111.859 172.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.6 t -70.01 -44.46 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-O 119.053 -0.499 . . . . 10.0 110.34 176.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -58.7 -39.2 80.08 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 118.745 0.702 . . . . 10.0 111.365 169.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.75 -43.54 98.53 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 119.095 0.861 . . . . 10.0 110.824 175.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.98 -42.9 91.11 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.394 0.997 . . . . 10.0 112.655 170.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -65.03 -43.3 92.85 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 118.99 0.814 . . . . 10.0 112.887 176.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -72.54 -29.95 64.01 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 119.438 1.017 . . . . 10.0 112.811 178.132 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.9 m -66.83 -44.71 80.39 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-O 118.145 -0.931 . . . . 10.0 110.343 168.016 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 32.2 tp -62.31 -40.22 95.58 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 119.628 1.104 . . . . 10.0 112.803 175.383 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -58.63 -36.4 74.02 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 125.289 1.435 . . . . 10.0 110.754 176.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.0 m -82.52 -35.69 27.07 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.67 1.188 . . . . 10.0 112.584 175.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -58.9 -39.28 81.01 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 125.579 1.552 . . . . 10.0 113.092 -174.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -59.96 -31.18 69.65 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.891 0.7 . . . . 10.0 112.891 178.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -59.95 -33.88 72.51 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 118.816 0.734 . . . . 10.0 110.541 176.149 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -62.84 -6.33 11.84 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.957 1.265 . . . . 10.0 115.006 176.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -128.72 -1.51 5.4 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.145 1.378 . . . . 10.0 113.124 178.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.2 mtp85 -145.59 -49.78 0.23 Allowed 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 114.65 1.352 . . . . 10.0 114.65 -168.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 . . . . . 0 C--O 1.258 1.52 0 O-C-N 125.438 1.711 . . . . 10.0 111.311 -165.268 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 118.617 -0.706 . . . . 10.0 109.758 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.6 t -156.02 111.46 2.97 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.125 0.97 . . . . 10.0 108.663 171.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.7 mt -86.23 165.61 16.36 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.697 0.799 . . . . 10.0 111.351 -177.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 -143.74 167.04 23.21 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.376 1.071 . . . . 10.0 112.298 -167.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.8 mptt -66.29 116.81 7.74 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 105.468 -2.049 . . . . 10.0 105.468 165.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 90.7 mt -74.83 125.63 29.2 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 121.275 0.56 . . . . 10.0 111.425 -169.337 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.8 p -124.78 178.57 5.4 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 126.969 2.108 . . . . 10.0 110.18 178.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -49.42 -36.24 21.63 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.817 0.847 . . . . 10.0 112.465 170.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.2 -41.83 68.33 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-N 118.309 0.504 . . . . 10.0 113.023 177.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -70.06 -39.23 75.79 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 117.891 0.845 . . . . 10.0 111.152 177.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.9 mp -64.09 -38.76 92.23 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 113.574 0.953 . . . . 10.0 113.574 169.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -63.92 -46.02 86.67 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.221 0.918 . . . . 10.0 111.389 170.276 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -62.21 -39.36 92.52 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 119.147 0.885 . . . . 10.0 113.093 175.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 52.3 mt -64.86 -44.52 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-N 119.542 1.065 . . . . 10.0 110.088 172.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.7 m -63.25 -41.07 99.01 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.066 0.546 . . . . 10.0 111.474 179.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.5 t -63.49 -43.98 95.68 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.409 1.883 . . . . 10.0 112.098 172.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -61.22 -42.46 98.64 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 124.07 0.948 . . . . 10.0 111.755 175.169 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.8 mt -67.86 -47.47 68.83 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.355 0.662 . . . . 10.0 111.575 176.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -56.02 -49.08 74.68 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.209 0.604 . . . . 10.0 111.487 174.094 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -60.69 -41.45 95.19 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 122.692 0.397 . . . . 10.0 111.706 176.205 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.8 m -61.09 -46.28 91.28 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.459 0.704 . . . . 10.0 111.164 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.442 HG23 ' HB1' ' A' ' 74' ' ' ALA . 64.0 mt -63.94 -44.47 97.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 CA-C-N 118.249 0.477 . . . . 10.0 110.502 174.729 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.7 t -58.92 -51.01 71.85 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.279 0.632 . . . . 10.0 112.221 178.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -59.56 -38.76 81.97 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 113.344 0.868 . . . . 10.0 113.344 171.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -64.17 -45.68 87.33 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 119.677 1.126 . . . . 10.0 110.944 178.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 82.3 mt -62.03 -52.75 56.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 123.627 0.771 . . . . 10.0 109.533 176.092 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.3 mp -63.76 -9.36 14.05 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 114.636 1.347 . . . . 10.0 114.636 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -115.45 4.23 14.26 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.773 1.229 . . . . 10.0 112.49 177.22 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.2 ttt-85 -123.39 -15.57 7.11 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.903 1.281 . . . . 10.0 113.62 170.12 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.2 t -142.02 149.73 19.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 127.706 2.403 . . . . 10.0 107.616 175.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.8 t -97.97 136.2 38.6 Favored 'General case' 0 N--CA 1.464 0.261 0 O-C-N 121.011 -1.056 . . . . 10.0 112.226 -173.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.71 -24.65 3.55 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.711 1.604 . . . . 10.0 114.468 177.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -61.84 -24.74 67.09 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 115.183 1.549 . . . . 10.0 115.183 172.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.9 pm0 -110.12 -16.54 13.77 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.121 1.156 . . . . 10.0 114.121 175.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 37.0 mm -72.88 114.45 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 123.81 0.844 . . . . 10.0 108.911 169.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 19.7 t -72.5 -49.96 38.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 109.01 -0.737 . . . . 10.0 109.01 168.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -163.86 177.0 8.94 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.454 0.702 . . . . 10.0 112.492 172.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.0 pt -137.11 143.03 35.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 C-N-CA 125.525 1.53 . . . . 10.0 109.886 170.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -127.54 119.5 26.16 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 123.774 0.83 . . . . 10.0 109.193 176.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.6 mt -131.16 126.34 58.96 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.129 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 -173.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 90.3 m -119.76 120.39 36.4 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 125.63 1.572 . . . . 10.0 108.241 176.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.1 t -115.51 126.49 73.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 N-CA-C 107.247 -1.39 . . . . 10.0 107.247 173.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 88.3 mt -117.73 135.62 53.91 Favored 'General case' 0 C--N 1.334 -0.096 0 C-N-CA 124.354 1.062 . . . . 10.0 108.674 178.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.2 p -139.79 132.84 35.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 C-N-CA 123.856 0.862 . . . . 10.0 110.447 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -144.8 159.95 42.04 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.716 1.606 . . . . 10.0 110.973 -173.025 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -137.41 99.77 4.05 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.457 0.703 . . . . 10.0 109.205 174.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.9 p -131.27 80.57 1.94 Allowed 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 108.05 -1.093 . . . . 10.0 108.05 -178.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.0 t70 62.73 -41.17 0.17 Allowed 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 127.31 2.244 . . . . 10.0 113.063 -167.102 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -98.31 144.42 27.74 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.972 2.509 . . . . 10.0 109.181 168.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.8 tp -85.25 118.91 25.08 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 105.918 -1.882 . . . . 10.0 105.918 167.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.1 tttp -131.14 132.8 45.04 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 121.155 0.503 . . . . 10.0 110.441 -170.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.3 p -136.26 141.94 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 C-N-CA 124.981 1.312 . . . . 10.0 109.33 -177.015 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -137.02 145.58 44.24 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.374 1.07 . . . . 10.0 110.533 175.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.3 mt -132.41 121.79 46.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 125.419 1.488 . . . . 10.0 108.838 -172.276 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.6 t -129.2 127.92 42.28 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 124.002 0.921 . . . . 10.0 109.433 174.429 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.24 139.46 49.66 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.334 1.054 . . . . 10.0 110.693 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -128.02 143.44 51.08 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 125.962 1.705 . . . . 10.0 109.441 176.375 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 68.2 tp -128.07 104.3 7.7 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.943 1.697 . . . . 10.0 111.632 -166.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -97.63 104.53 16.57 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 121.311 0.577 . . . . 10.0 110.842 -178.023 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -82.37 152.15 26.34 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 125.187 1.395 . . . . 10.0 111.276 168.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -56.63 147.4 22.61 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 115.056 -0.975 . . . . 10.0 111.845 168.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.89 6.85 0.2 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.82 2.048 . . . . 10.0 114.116 -176.259 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.33 7.81 9.06 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.309 2.243 . . . . 10.0 112.427 175.252 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.7 m -132.03 156.39 46.34 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.746 1.618 . . . . 10.0 112.45 -174.336 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -154.99 94.92 1.69 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.542 1.137 . . . . 10.0 109.628 -171.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.2 169.6 15.79 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.869 1.268 . . . . 10.0 112.727 175.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -85.32 140.43 36.46 Favored Pre-proline 0 CA--C 1.548 0.9 0 O-C-N 120.717 -1.239 . . . . 10.0 111.822 -169.166 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -72.25 69.14 3.3 Favored 'Trans proline' 0 C--N 1.356 0.928 1 C-N-CA 125.482 4.122 . . . . 10.0 112.152 -176.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.03 -15.95 0.03 OUTLIER Glycine 0 CA--C 1.534 1.235 0 C-N-CA 126.321 1.915 . . . . 10.0 113.952 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.1 mt -61.35 -38.64 80.38 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-N 119.751 1.775 . . . . 10.0 112.828 -177.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 86.8 t -66.85 -50.48 64.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 123.79 0.836 . . . . 10.0 110.174 175.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.42 -45.2 72.93 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.225 1.81 . . . . 10.0 110.964 176.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -63.87 -39.61 94.61 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.936 0.895 . . . . 10.0 111.958 172.217 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.442 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -66.38 -43.35 86.14 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.873 1.215 . . . . 10.0 111.346 179.612 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 48.3 t -66.71 -45.96 86.88 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 125.497 1.519 . . . . 10.0 110.804 177.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -58.79 -40.48 84.14 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.161 1.384 . . . . 10.0 112.653 170.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.97 -39.36 93.37 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.038 -1.039 . . . . 10.0 111.849 174.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.28 -43.07 98.98 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 118.966 -0.54 . . . . 10.0 111.906 170.353 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -63.02 -43.18 99.43 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.26 0.936 . . . . 10.0 112.767 175.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 76.9 mtt-85 -63.68 -40.94 98.05 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.109 0.868 . . . . 10.0 111.309 175.102 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.0 m -63.17 -36.51 83.87 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 123.586 0.754 . . . . 10.0 111.5 175.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.3 tp -70.51 -45.31 65.84 Favored 'General case' 0 C--N 1.34 0.189 0 C-N-CA 123.449 0.7 . . . . 10.0 112.539 174.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -59.01 -41.19 87.11 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.315 0.961 . . . . 10.0 110.835 178.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . 0.311 26.6 m -74.24 -17.79 60.83 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 115.637 1.717 . . . . 10.0 115.637 173.146 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -65.64 -41.11 93.0 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.238 0.926 . . . . 10.0 108.98 165.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -76.84 -22.75 53.1 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 116.999 -1.476 . . . . 10.0 114.506 174.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -51.78 -29.57 19.51 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 120.502 1.501 . . . . 10.0 110.545 168.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -84.88 -14.84 68.91 Favored Glycine 0 CA--C 1.534 1.28 0 O-C-N 121.113 -0.992 . . . . 10.0 114.299 177.184 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -89.73 -19.01 25.29 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.646 1.178 . . . . 10.0 112.952 177.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.7 mtt-85 -137.63 -70.66 0.44 Allowed 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 118.547 -0.739 . . . . 10.0 111.444 -170.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 . . . . . 0 C--O 1.25 1.116 0 C-N-CA 128.154 2.582 . . . . 10.0 109.103 -174.235 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 107.309 -1.367 . . . . 10.0 107.309 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t 52.95 -162.58 0.1 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.884 0.873 . . . . 10.0 111.702 -166.809 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -128.97 -169.41 2.08 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.263 1.425 . . . . 10.0 113.037 -169.881 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.7 ttt-85 -123.67 165.58 16.99 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.771 2.028 . . . . 10.0 109.182 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 51.8 mmtt -48.83 113.35 0.76 Allowed 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.442 1.097 . . . . 10.0 110.088 169.899 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 74.4 mt -74.96 106.01 6.26 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 121.134 0.492 . . . . 10.0 109.874 179.843 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.8 t -130.99 173.87 10.57 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 126.238 1.815 . . . . 10.0 106.765 171.308 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -43.3 -35.88 1.64 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 128.186 2.594 . . . . 10.0 113.624 -173.089 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.28 -57.65 11.18 Favored Glycine 0 CA--C 1.533 1.203 0 CA-C-N 119.041 0.837 . . . . 10.0 114.091 173.394 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.85 -38.9 89.97 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.204 1.402 . . . . 10.0 111.267 178.234 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.0 mt -69.44 -40.76 77.01 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.388 1.075 . . . . 10.0 111.875 176.633 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -59.88 -45.76 91.48 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 119.122 0.874 . . . . 10.0 111.013 169.771 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -62.7 -37.83 88.02 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.048 0.84 . . . . 10.0 112.568 176.196 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.3 mt -64.87 -39.23 84.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 O-C-N 120.549 -1.345 . . . . 10.0 110.78 172.015 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.4 p -59.53 -40.83 88.48 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.31 -0.869 . . . . 10.0 112.08 170.483 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.44 -43.87 97.79 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 125.257 1.423 . . . . 10.0 110.981 174.243 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -58.96 -42.62 90.32 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.674 0.79 . . . . 10.0 111.812 174.583 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 93.6 mt -67.24 -47.66 70.11 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 118.551 0.614 . . . . 10.0 112.219 176.46 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -60.88 -44.16 97.46 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.343 0.657 . . . . 10.0 111.826 178.108 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -63.91 -40.22 95.98 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 118.353 -0.832 . . . . 10.0 111.558 172.121 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.0 m -60.94 -46.67 89.78 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.886 1.221 . . . . 10.0 111.764 -179.402 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.457 HG23 ' HB1' ' A' ' 74' ' ' ALA . 29.6 mt -64.31 -44.29 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-N 118.435 0.561 . . . . 10.0 110.44 174.235 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.0 m -59.36 -50.56 73.51 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.534 0.734 . . . . 10.0 112.055 -179.123 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -58.79 -38.78 79.31 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 114.812 1.412 . . . . 10.0 114.812 170.86 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.516 ' CE1' ' HD2' ' A' ' 29' ' ' ARG . 24.9 t80 -65.25 -45.83 82.99 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.385 0.993 . . . . 10.0 110.431 176.649 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.9 mt -59.94 -51.74 69.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 124.199 1.0 . . . . 10.0 109.724 176.631 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.08 -8.96 13.6 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 114.554 1.316 . . . . 10.0 114.554 177.951 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.5 mtmm -112.9 8.17 18.54 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.869 1.268 . . . . 10.0 112.736 171.639 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.516 ' HD2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -117.14 -34.79 4.25 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.854 1.662 . . . . 10.0 113.579 170.306 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.2 p -145.84 146.21 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 125.266 1.427 . . . . 10.0 110.045 -175.376 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.8 t -81.15 136.49 35.89 Favored 'General case' 0 N--CA 1.462 0.146 0 O-C-N 121.517 -0.739 . . . . 10.0 111.017 -179.56 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.95 -24.84 3.96 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.788 1.235 . . . . 10.0 112.917 168.774 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -64.52 -15.22 60.54 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 114.771 1.397 . . . . 10.0 114.771 171.251 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -99.78 -12.99 19.45 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.321 1.848 . . . . 10.0 111.431 175.826 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.5 mm -98.08 127.42 50.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 C-N-CA 126.0 1.72 . . . . 10.0 109.462 -173.149 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.5 t -75.34 -52.45 18.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 C-N-CA 123.824 0.85 . . . . 10.0 108.763 168.904 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -165.51 177.15 7.61 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.258 1.023 . . . . 10.0 111.741 173.408 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 21.4 pt -135.84 143.08 37.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 125.039 1.336 . . . . 10.0 111.254 171.885 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -112.44 119.98 40.07 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 108.103 -1.073 . . . . 10.0 108.103 168.652 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.0 mt -131.11 113.23 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 108.458 -0.942 . . . . 10.0 108.458 173.899 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.5 m -119.75 117.75 29.05 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 124.923 1.289 . . . . 10.0 108.503 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.7 m -115.69 122.13 68.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 C-N-CA 125.917 1.687 . . . . 10.0 109.407 -176.596 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -117.73 139.34 51.18 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 125.089 1.356 . . . . 10.0 109.148 -177.831 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.3 p -131.95 140.44 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 123.47 0.708 . . . . 10.0 109.537 176.854 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -145.99 152.79 39.94 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.678 1.191 . . . . 10.0 110.235 -169.07 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -145.16 99.57 3.34 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.215 0.606 . . . . 10.0 109.775 174.804 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 31.0 m -131.18 92.61 3.22 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.883 1.273 . . . . 10.0 107.62 179.818 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.3 t70 63.05 -27.28 0.07 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 127.263 2.225 . . . . 10.0 114.551 -169.226 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.8 159.95 41.11 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 127.702 2.401 . . . . 10.0 110.389 172.21 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 36.3 tp -85.0 129.36 34.81 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.736 2.014 . . . . 10.0 109.894 -178.241 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.6 ttpp -131.03 147.57 52.64 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.525 0.678 . . . . 10.0 110.79 170.821 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.2 p -136.1 135.84 49.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 124.672 1.189 . . . . 10.0 107.998 169.811 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -122.59 138.75 54.49 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 125.468 1.507 . . . . 10.0 108.349 -177.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.6 mt -131.61 110.55 17.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 N-CA-C 107.167 -1.42 . . . . 10.0 107.167 -172.115 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.0 m -109.47 122.14 46.73 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 108.017 -1.105 . . . . 10.0 108.017 173.227 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.19 141.83 50.11 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.405 0.682 . . . . 10.0 110.252 175.048 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.69 145.87 45.23 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 125.91 1.684 . . . . 10.0 109.564 177.158 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 23.5 tp -127.96 104.17 7.65 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 125.424 1.49 . . . . 10.0 109.59 -169.132 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -94.95 102.61 14.45 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 108.07 -1.085 . . . . 10.0 108.07 179.174 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.1 mt -83.63 151.82 25.12 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 126.722 2.009 . . . . 10.0 111.321 174.589 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -68.16 142.29 55.78 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 111.636 0.236 . . . . 10.0 111.636 171.358 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -71.79 34.69 0.06 Allowed 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 129.529 3.132 . . . . 10.0 113.124 -174.944 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.1 tt -162.2 -23.72 0.05 OUTLIER 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 128.923 2.889 . . . . 10.0 111.761 -169.943 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 85.9 p -65.93 165.9 12.31 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.805 1.642 . . . . 10.0 113.613 169.938 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -146.17 94.89 2.53 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.88 1.672 . . . . 10.0 108.837 179.514 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -112.65 177.08 4.76 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.636 1.574 . . . . 10.0 111.61 175.71 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -85.54 146.06 43.42 Favored Pre-proline 0 CA--C 1.547 0.861 0 N-CA-C 113.705 1.002 . . . . 10.0 113.705 -167.643 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -74.8 44.03 1.05 Allowed 'Trans proline' 0 CA--C 1.548 1.189 1 C-N-CA 126.079 4.52 . . . . 10.0 114.408 -170.79 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.07 16.69 0.03 OUTLIER Glycine 0 CA--C 1.538 1.504 0 C-N-CA 126.74 2.114 . . . . 10.0 113.901 174.52 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 8.0 tt -66.05 -29.05 45.57 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 N-CA-C 114.819 1.415 . . . . 10.0 114.819 -167.924 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.6 p -86.18 -35.78 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 123.831 0.852 . . . . 10.0 112.178 169.938 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.89 -38.73 70.58 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.746 1.218 . . . . 10.0 111.182 174.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -63.85 -39.03 93.24 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 118.655 -0.688 . . . . 10.0 111.988 169.88 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.457 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -65.76 -42.62 90.66 Favored 'General case' 0 C--N 1.343 0.296 0 CA-C-N 119.711 1.141 . . . . 10.0 111.793 178.13 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.403 HG12 ' CE2' ' A' ' 79' ' ' TYR . 2.3 t -68.25 -47.46 77.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-O 118.611 -0.709 . . . . 10.0 110.415 178.168 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -59.55 -37.25 77.92 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.769 1.168 . . . . 10.0 112.847 172.518 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.89 -41.71 99.52 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.924 1.238 . . . . 10.0 111.519 174.123 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.65 97.07 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 118.582 -0.723 . . . . 10.0 111.884 169.766 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.403 ' CE2' HG12 ' A' ' 75' ' ' VAL . 44.1 m-85 -65.04 -43.28 92.88 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 117.782 -1.104 . . . . 10.0 112.866 176.173 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.6 -41.45 96.2 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 120.135 1.334 . . . . 10.0 110.846 174.935 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.8 t -63.13 -48.21 79.45 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-O 118.695 -0.669 . . . . 10.0 110.442 178.306 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -61.21 -44.01 97.96 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.429 1.091 . . . . 10.0 112.112 176.179 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -58.92 -41.03 86.32 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.495 1.518 . . . . 10.0 112.023 177.394 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 51.9 m -79.08 -26.75 42.98 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.911 1.078 . . . . 10.0 113.911 170.852 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -65.64 -42.32 91.58 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 120.703 -1.248 . . . . 10.0 112.317 -176.025 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -73.36 -34.25 65.51 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.528 1.058 . . . . 10.0 111.65 178.783 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -58.62 -39.61 80.96 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.164 0.586 . . . . 10.0 109.733 168.902 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -69.91 -5.98 54.42 Favored Glycine 0 CA--C 1.535 1.306 0 CA-C-O 118.477 -1.179 . . . . 10.0 115.344 179.013 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -132.01 -19.34 2.57 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 115.839 1.792 . . . . 10.0 115.839 -177.244 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.84 -12.26 3.34 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-O 116.763 -1.589 . . . . 10.0 115.265 170.68 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 . . . . . 0 C--O 1.26 1.633 0 CA-C-O 116.527 -1.701 . . . . 10.0 109.938 -166.955 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.0 mmt . . . . . 0 N--CA 1.478 0.971 0 CA-C-O 118.245 -0.883 . . . . 10.0 108.92 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m 61.72 165.85 0.1 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.766 1.626 . . . . 10.0 114.249 -171.574 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.27 179.17 6.18 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.092 1.757 . . . . 10.0 111.399 -172.755 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -86.49 166.19 15.69 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.992 0.917 . . . . 10.0 110.783 179.308 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -64.87 111.9 3.03 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 108.681 -0.859 . . . . 10.0 108.681 173.129 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 76.6 mt -74.57 119.08 18.27 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 123.735 0.647 . . . . 10.0 111.03 -167.853 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.9 t -138.82 -168.15 2.36 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.43 1.492 . . . . 10.0 109.883 171.888 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -47.19 -42.02 19.16 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.85 1.66 . . . . 10.0 112.854 -176.794 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.38 -48.52 68.2 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 123.736 0.684 . . . . 10.0 113.599 179.084 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.29 -40.76 94.27 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 118.481 1.14 . . . . 10.0 111.049 178.965 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mp -65.14 -43.5 91.69 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.732 0.813 . . . . 10.0 112.377 174.854 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -64.16 -37.1 86.24 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.11 0.868 . . . . 10.0 112.313 172.07 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -65.75 -44.05 87.08 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 118.985 0.811 . . . . 10.0 111.965 174.118 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.6 mt -64.92 -48.11 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-N 119.158 0.89 . . . . 10.0 110.201 175.016 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.8 m -59.37 -38.15 79.73 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.944 0.793 . . . . 10.0 112.226 175.732 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.1 m -65.64 -43.55 89.11 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.916 0.886 . . . . 10.0 112.164 172.831 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -58.65 -41.39 85.96 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.488 0.715 . . . . 10.0 111.794 173.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.5 mt -65.77 -48.36 72.08 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.41 0.684 . . . . 10.0 111.829 175.003 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -57.49 -44.77 85.22 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.222 0.609 . . . . 10.0 112.027 175.584 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -64.47 -41.23 96.62 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.452 0.701 . . . . 10.0 111.757 174.59 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.8 m -61.19 -47.2 87.25 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.654 0.782 . . . . 10.0 111.279 179.212 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.417 HG23 ' HB1' ' A' ' 74' ' ' ALA . 30.5 mt -65.16 -40.62 89.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-O 119.338 -0.363 . . . . 10.0 110.561 175.177 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.5 m -59.24 -51.03 71.71 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.355 0.662 . . . . 10.0 111.853 177.493 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.43 -38.83 78.25 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 115.01 1.485 . . . . 10.0 115.01 169.487 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.454 ' CD1' ' HA ' ' A' ' 74' ' ' ALA . 27.7 t80 -66.85 -44.54 80.77 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 119.534 1.061 . . . . 10.0 110.547 179.71 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 53.6 mt -60.07 -53.14 52.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 124.625 1.17 . . . . 10.0 110.039 173.969 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.05 -14.36 35.27 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.15 1.167 . . . . 10.0 114.15 -179.645 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -114.21 11.09 17.4 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.813 1.245 . . . . 10.0 112.513 175.732 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.8 ttm-85 -129.33 -24.52 2.81 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 115.079 1.511 . . . . 10.0 115.079 173.775 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.8 p -150.03 148.17 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.227 1.411 . . . . 10.0 109.333 -179.017 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 40.3 t -87.37 136.25 33.01 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 116.151 1.908 . . . . 10.0 116.151 -166.707 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.84 -24.48 3.56 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.107 1.363 . . . . 10.0 113.069 166.205 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -70.91 -22.13 62.29 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.398 1.258 . . . . 10.0 114.398 173.179 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -111.38 -29.47 7.79 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.096 1.358 . . . . 10.0 111.697 179.347 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.1 mm -71.89 113.93 9.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 C-N-CA 124.77 1.228 . . . . 10.0 109.037 168.893 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 25.2 t -69.21 -50.71 50.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 C-N-CA 124.093 0.957 . . . . 10.0 109.592 168.689 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -164.05 177.11 8.71 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.474 0.71 . . . . 10.0 112.049 176.764 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 35.0 pt -137.35 143.27 34.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 125.021 1.329 . . . . 10.0 112.255 175.902 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -115.07 107.27 15.12 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 123.985 0.914 . . . . 10.0 109.022 168.375 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.5 mm -103.3 124.96 57.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 N-CA-C 107.208 -1.404 . . . . 10.0 107.208 169.023 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.9 m -116.42 117.67 30.58 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 108.367 -0.975 . . . . 10.0 108.367 175.178 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -115.84 118.41 58.7 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 C-N-CA 126.96 2.104 . . . . 10.0 109.257 -176.283 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -114.55 138.96 49.99 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 124.758 1.223 . . . . 10.0 108.598 178.54 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.7 p -139.5 131.44 34.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 C-N-CA 124.585 1.154 . . . . 10.0 108.67 178.882 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.41 159.97 43.1 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.925 1.29 . . . . 10.0 110.926 -170.36 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -144.38 99.64 3.4 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.733 0.778 . . . . 10.0 109.298 179.383 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -131.27 80.69 1.95 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.705 1.602 . . . . 10.0 108.675 -176.434 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.3 t70 64.71 -44.04 0.31 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 127.245 2.218 . . . . 10.0 112.054 -167.386 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -98.18 155.02 17.36 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.647 1.579 . . . . 10.0 110.219 166.867 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.1 tp -85.23 129.26 34.84 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 106.161 -1.792 . . . . 10.0 106.161 165.829 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -129.38 137.42 50.93 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.403 0.681 . . . . 10.0 109.87 179.796 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.4 t -136.1 130.75 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 N-CA-C 107.619 -1.252 . . . . 10.0 107.619 174.492 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -137.02 131.91 33.5 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 124.352 1.061 . . . . 10.0 108.637 -171.725 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.4 mt -132.09 128.11 58.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 C-N-CA 123.699 0.8 . . . . 10.0 109.073 -170.218 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.8 m -127.65 140.12 52.29 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 125.521 1.528 . . . . 10.0 108.909 176.146 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.34 149.34 52.59 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.295 0.638 . . . . 10.0 112.28 179.458 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.08 141.35 48.16 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.383 1.473 . . . . 10.0 109.129 168.546 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.2 tp -128.01 104.03 7.56 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 125.82 1.648 . . . . 10.0 108.267 -169.502 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -95.17 105.89 17.86 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 -172.475 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -82.27 151.92 26.58 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 125.057 1.343 . . . . 10.0 111.146 171.572 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.424 ' C ' ' H ' ' A' ' 63' ' ' LEU . 24.9 t0 -56.97 147.28 24.33 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.595 -0.73 . . . . 10.0 111.001 167.706 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -66.46 24.25 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 126.436 1.895 . . . . 10.0 113.899 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.424 ' H ' ' C ' ' A' ' 61' ' ' ASP . 0.5 OUTLIER -149.84 14.01 0.82 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 128.603 2.761 . . . . 10.0 111.492 -173.633 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.0 m -153.03 156.43 38.78 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 120.027 -1.671 . . . . 10.0 112.379 175.397 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -145.45 94.79 2.56 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.811 1.245 . . . . 10.0 109.55 -168.121 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.97 167.12 4.03 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.812 0.845 . . . . 10.0 111.926 168.913 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -85.32 144.21 40.38 Favored Pre-proline 0 CA--C 1.546 0.809 0 O-C-N 121.035 -1.041 . . . . 10.0 111.976 -168.802 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -72.49 66.26 3.7 Favored 'Trans proline' 0 C--N 1.356 0.938 1 C-N-CA 125.772 4.315 . . . . 10.0 112.458 -173.45 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 177.35 -20.18 0.04 OUTLIER Glycine 0 CA--C 1.533 1.2 0 C-N-CA 126.396 1.951 . . . . 10.0 113.486 179.912 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 26.6 mt -57.84 -35.98 53.66 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-N 119.695 1.747 . . . . 10.0 112.313 -178.285 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 62.1 t -64.92 -57.95 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.203 1.001 . . . . 10.0 110.0 173.942 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -53.31 -45.33 68.94 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 126.358 1.863 . . . . 10.0 110.9 -178.47 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -63.86 -34.39 77.83 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.983 0.913 . . . . 10.0 111.644 175.139 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.454 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . . . -70.04 -43.0 72.16 Favored 'General case' 0 C--N 1.342 0.261 0 CA-C-N 119.529 1.059 . . . . 10.0 111.685 178.837 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.422 HG12 ' CE2' ' A' ' 79' ' ' TYR . 2.1 t -72.0 -40.39 67.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-O 119.514 -0.279 . . . . 10.0 111.0 177.699 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -58.85 -37.17 75.88 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.636 1.575 . . . . 10.0 112.319 171.685 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.26 -42.85 99.19 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.192 -0.943 . . . . 10.0 111.911 170.184 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.01 -42.35 99.81 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.005 0.82 . . . . 10.0 112.554 172.232 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.422 ' CE2' HG12 ' A' ' 75' ' ' VAL . 42.7 m-85 -62.39 -43.12 99.58 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.282 0.946 . . . . 10.0 111.851 177.894 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 28.9 mtt85 -71.12 -39.34 72.09 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 119.206 0.912 . . . . 10.0 112.649 173.845 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.3 t -65.86 -24.57 66.9 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 118.036 -0.983 . . . . 10.0 113.056 175.892 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 45.5 tp -77.95 -47.13 19.31 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 124.094 0.958 . . . . 10.0 111.347 172.017 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -66.26 -41.17 90.29 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 118.218 0.463 . . . . 10.0 111.071 179.737 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.5 t -69.68 -18.05 63.53 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 113.656 0.984 . . . . 10.0 113.656 173.66 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -81.33 -42.42 20.58 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.444 1.02 . . . . 10.0 111.297 168.387 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.5 mt -69.07 -22.67 64.0 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 118.529 -0.748 . . . . 10.0 112.62 175.697 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -48.96 -35.84 16.04 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.015 0.926 . . . . 10.0 110.585 166.533 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -71.85 -4.12 57.55 Favored Glycine 0 CA--C 1.538 1.486 0 N-CA-C 114.998 0.759 . . . . 10.0 114.998 177.125 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -136.89 -0.2 2.34 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.543 1.937 . . . . 10.0 113.629 -173.312 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 -139.18 -42.36 0.46 Allowed 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.293 1.437 . . . . 10.0 112.994 -176.79 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 . . . . . 0 C--O 1.252 1.19 0 O-C-N 125.268 1.605 . . . . 10.0 112.187 -169.789 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 118.7 -0.667 . . . . 10.0 110.232 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.4 t 51.95 28.29 5.08 Favored 'General case' 0 CA--C 1.548 0.904 0 N-CA-C 116.317 1.969 . . . . 10.0 116.317 170.46 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 pp -65.66 175.84 1.73 Allowed 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.947 1.299 . . . . 10.0 112.693 171.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -110.05 -176.98 3.14 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.325 1.05 . . . . 10.0 112.802 -169.423 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -51.97 127.58 21.72 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.281 1.032 . . . . 10.0 109.615 177.075 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.2 mt -74.74 107.48 6.87 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.69 0.757 . . . . 10.0 110.292 -169.544 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.3 t -147.44 -178.25 6.14 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.87 2.068 . . . . 10.0 107.906 -172.252 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -63.52 29.6 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.955 1 C-N-CA 131.853 4.061 . . . . 10.0 114.327 -177.346 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.8 -61.22 0.02 OUTLIER Glycine 0 CA--C 1.528 0.859 0 C-N-CA 128.084 2.754 . . . . 10.0 109.299 172.577 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.09 -39.82 83.36 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 118.128 0.964 . . . . 10.0 112.545 176.545 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.7 mt -65.32 -39.91 93.04 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.489 -0.757 . . . . 10.0 112.181 177.662 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -70.12 -42.12 73.04 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.215 0.606 . . . . 10.0 111.405 175.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -57.14 -44.45 83.41 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.5 0.72 . . . . 10.0 110.926 172.792 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 75.1 mt -64.78 -44.03 96.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 124.244 1.018 . . . . 10.0 111.202 176.394 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.8 t -58.72 -42.98 89.97 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.387 0.54 . . . . 10.0 111.191 174.132 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.6 p -61.87 -42.85 99.56 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.957 0.903 . . . . 10.0 112.536 174.717 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -61.69 -42.59 99.15 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 124.765 1.226 . . . . 10.0 111.421 178.197 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.5 mt -70.19 -45.13 67.28 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 122.842 0.457 . . . . 10.0 111.584 178.07 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -59.75 -48.42 81.73 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.49 0.587 . . . . 10.0 111.593 175.719 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -62.39 -37.41 85.67 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 118.634 -0.698 . . . . 10.0 111.852 175.117 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.6 m -61.04 -44.11 97.88 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.622 1.101 . . . . 10.0 111.293 178.283 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.7 mt -65.55 -45.52 92.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-N 118.086 0.403 . . . . 10.0 110.848 174.461 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.1 t -57.4 -50.3 73.44 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 122.87 0.468 . . . . 10.0 112.173 177.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.51 -38.67 81.55 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 114.8 1.407 . . . . 10.0 114.8 171.913 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -64.15 -45.69 87.35 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 119.91 1.232 . . . . 10.0 110.973 175.098 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.8 mt -61.15 -53.0 55.03 Favored 'Isoleucine or valine' 0 C--N 1.342 0.25 0 C-N-CA 124.13 0.972 . . . . 10.0 109.848 177.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.65 -20.74 65.1 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.872 1.064 . . . . 10.0 113.872 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.6 mtmm -95.91 -0.06 51.34 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.078 0.951 . . . . 10.0 113.466 173.345 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -125.23 -27.88 3.45 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.475 1.287 . . . . 10.0 114.475 -178.162 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.7 p -144.43 153.64 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 125.903 1.681 . . . . 10.0 110.962 170.543 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 45.3 t -76.59 122.69 24.98 Favored 'General case' 0 N--CA 1.463 0.209 0 O-C-N 121.218 -0.926 . . . . 10.0 111.782 178.069 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.46 -24.78 5.4 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.215 1.406 . . . . 10.0 113.18 168.239 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.7 -12.67 61.7 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.856 1.058 . . . . 10.0 113.856 174.027 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -94.82 -10.84 30.18 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.1 1.36 . . . . 10.0 112.035 169.8 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 56.4 mt -94.36 125.85 46.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 125.39 1.476 . . . . 10.0 108.402 -177.534 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.1 t -69.0 -50.99 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 C-N-CA 124.49 1.116 . . . . 10.0 109.118 169.627 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -162.98 174.73 11.95 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.16 0.8 . . . . 10.0 113.16 170.588 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.4 pt -132.26 143.15 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 C-N-CA 125.833 1.653 . . . . 10.0 110.717 170.56 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -121.9 127.0 49.94 Favored 'General case' 0 N--CA 1.462 0.141 0 N-CA-C 108.139 -1.06 . . . . 10.0 108.139 169.708 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 59.7 mt -131.18 126.09 58.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 108.057 -1.09 . . . . 10.0 108.057 -178.534 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 52.9 m -119.67 117.87 29.42 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 125.111 1.364 . . . . 10.0 108.153 -179.633 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.6 t -115.56 122.04 68.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 N-CA-C 107.204 -1.406 . . . . 10.0 107.204 171.787 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.8 mt -117.81 139.26 51.33 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 125.207 1.403 . . . . 10.0 109.062 175.817 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.2 p -135.53 138.37 48.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 C-N-CA 124.274 1.029 . . . . 10.0 109.639 179.664 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -144.48 159.89 42.0 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.597 1.159 . . . . 10.0 110.935 179.41 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -137.05 105.37 5.73 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 106.983 -1.488 . . . . 10.0 106.983 173.861 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.4 t -131.14 84.63 2.2 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.223 1.409 . . . . 10.0 107.547 -174.568 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.2 t70 66.74 -31.43 0.16 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 127.379 2.272 . . . . 10.0 113.121 -166.802 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.44 160.31 40.28 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 127.737 2.415 . . . . 10.0 111.001 169.858 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 53.9 tp -84.82 129.25 34.84 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.828 2.051 . . . . 10.0 110.178 -174.164 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -133.4 147.6 51.77 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.96 1.304 . . . . 10.0 110.332 178.652 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 89.5 t -135.91 142.25 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 C-N-CA 125.625 1.57 . . . . 10.0 108.043 176.413 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -130.3 134.93 47.57 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 125.335 1.454 . . . . 10.0 107.851 176.757 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.0 mt -132.06 131.93 61.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 C-N-CA 123.149 0.58 . . . . 10.0 109.832 -179.636 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.7 m -131.75 137.83 48.36 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.639 1.176 . . . . 10.0 109.552 168.654 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.39 144.44 51.21 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.695 0.798 . . . . 10.0 110.975 175.918 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -129.23 138.71 51.84 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 126.351 1.86 . . . . 10.0 109.373 -177.063 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -123.07 121.28 35.65 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 126.158 1.783 . . . . 10.0 108.245 -173.903 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -114.08 102.76 10.47 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 108.197 -1.038 . . . . 10.0 108.197 174.359 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -82.88 151.97 25.78 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 125.508 1.523 . . . . 10.0 111.232 174.562 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -62.32 147.46 48.15 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.935 168.293 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -64.97 30.8 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 128.61 2.764 . . . . 10.0 113.401 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.1 tt -148.18 -8.37 0.4 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 128.119 2.568 . . . . 10.0 112.916 -169.316 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.03 154.85 47.0 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.643 1.11 . . . . 10.0 112.374 -178.14 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -136.47 94.69 3.04 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.942 1.697 . . . . 10.0 108.364 -174.44 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.68 -175.23 0.65 Allowed 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 125.813 1.645 . . . . 10.0 112.728 170.4 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.04 144.9 42.19 Favored Pre-proline 0 CA--C 1.546 0.809 0 O-C-N 120.64 -1.287 . . . . 10.0 109.693 -169.882 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -73.17 42.19 0.62 Allowed 'Trans proline' 0 CA--C 1.548 1.188 1 C-N-CA 125.658 4.239 . . . . 10.0 113.802 -176.822 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.1 13.9 0.02 OUTLIER Glycine 0 CA--C 1.539 1.546 0 C-N-CA 127.925 2.679 . . . . 10.0 113.552 176.328 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.7 tt -59.99 -36.54 67.79 Favored 'Isoleucine or valine' 0 C--N 1.349 0.57 0 CA-C-N 119.175 1.487 . . . . 10.0 113.555 -168.962 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.422 ' O ' HG23 ' A' ' 75' ' ' VAL . 7.9 p -86.02 -39.41 13.6 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.277 0 C-N-CA 124.46 1.104 . . . . 10.0 111.266 178.752 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.47 -47.01 73.45 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.872 1.269 . . . . 10.0 110.139 174.405 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.06 -36.88 85.46 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 118.187 -0.911 . . . . 10.0 112.575 171.093 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.46 -44.15 91.98 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 120.359 1.436 . . . . 10.0 112.05 176.777 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.437 HG12 ' CE2' ' A' ' 79' ' ' TYR . 2.1 t -72.19 -41.14 66.76 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 O-C-N 121.962 -0.461 . . . . 10.0 110.94 178.927 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -58.83 -40.28 83.73 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.262 1.025 . . . . 10.0 110.952 171.408 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.07 -37.35 86.85 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 120.744 -1.222 . . . . 10.0 112.377 171.522 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.3 -43.68 93.96 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.506 1.048 . . . . 10.0 112.14 170.366 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.437 ' CE2' HG12 ' A' ' 75' ' ' VAL . 52.8 m-85 -64.7 -43.09 94.6 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.333 0.969 . . . . 10.0 112.79 176.65 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 44.0 mtt180 -70.0 -32.73 71.07 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.706 0.802 . . . . 10.0 112.122 176.1 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 45.7 m -65.51 -43.26 90.63 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 118.952 -0.547 . . . . 10.0 110.517 169.601 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 39.4 tp -62.39 -47.12 85.56 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-O 118.353 -0.832 . . . . 10.0 112.478 179.236 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -65.63 -40.89 93.02 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.64 1.109 . . . . 10.0 111.502 177.022 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.3 m -63.21 -29.82 71.08 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.977 0.911 . . . . 10.0 112.74 175.203 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -81.11 -38.27 27.53 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.433 1.493 . . . . 10.0 112.621 175.846 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -64.19 -34.28 77.72 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.854 1.262 . . . . 10.0 111.889 170.127 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -60.02 -18.4 45.88 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.585 1.154 . . . . 10.0 111.724 168.561 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -97.91 14.8 62.47 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 120.974 -1.079 . . . . 10.0 112.987 175.771 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -150.38 -34.71 0.16 Allowed 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.419 1.266 . . . . 10.0 114.419 -170.845 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.8 mtm180 -120.02 -17.27 8.45 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 120.255 1.389 . . . . 10.0 114.707 174.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 . . . . . 0 C--O 1.254 1.323 0 CA-C-O 115.991 -1.957 . . . . 10.0 111.83 -169.616 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.446 ' HA ' ' HA ' ' A' ' 89' ' ' PHE . 25.8 ptm . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 118.937 -0.554 . . . . 10.0 110.993 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 t -166.06 38.38 0.05 Allowed 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 113.19 0.811 . . . . 10.0 113.19 -176.179 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.42 HD23 ' H ' ' A' ' 3' ' ' LEU . 2.4 pt? -125.72 -171.89 2.48 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.721 1.208 . . . . 10.0 113.708 -169.312 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -121.43 177.85 5.04 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 126.589 1.956 . . . . 10.0 110.74 -179.859 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -62.1 125.75 24.95 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 108.12 -1.067 . . . . 10.0 108.12 169.069 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 mp -74.79 113.38 12.01 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 108.93 -0.767 . . . . 10.0 108.93 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.8 t -144.09 171.85 13.7 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 126.05 1.74 . . . . 10.0 107.82 179.199 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.2 mp0 -50.48 -34.42 24.86 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 119.329 0.968 . . . . 10.0 113.479 -170.525 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.86 -63.23 5.27 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 123.93 0.776 . . . . 10.0 113.603 172.365 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -65.23 -32.86 74.74 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.605 1.162 . . . . 10.0 111.745 -178.728 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 93.1 mt -70.08 -39.69 75.45 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.005 0.922 . . . . 10.0 112.5 173.148 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -65.69 -38.33 88.96 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 119.528 1.058 . . . . 10.0 111.615 170.802 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.57 -43.64 84.71 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 118.852 0.751 . . . . 10.0 112.068 172.204 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.6 mt -65.42 -48.39 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-N 118.471 0.578 . . . . 10.0 110.606 174.524 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.5 m -58.91 -39.89 82.86 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.181 0.9 . . . . 10.0 112.427 178.167 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.2 t -65.97 -43.57 87.49 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.867 1.267 . . . . 10.0 112.167 172.857 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -57.77 -41.67 82.48 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.033 0.833 . . . . 10.0 111.987 173.566 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.6 mt -66.97 -45.15 78.57 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.283 0.633 . . . . 10.0 111.871 176.334 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -57.36 -49.62 75.58 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.075 0.55 . . . . 10.0 111.225 174.471 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -61.23 -40.0 92.41 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.099 0.559 . . . . 10.0 111.909 176.275 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 95.8 m -61.0 -44.64 97.12 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.321 0.649 . . . . 10.0 111.252 179.473 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.414 HG23 ' HB1' ' A' ' 74' ' ' ALA . 46.0 mt -71.08 -41.0 76.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-O 118.077 -0.963 . . . . 10.0 111.102 177.439 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.2 t -54.96 -51.63 65.53 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 118.601 0.637 . . . . 10.0 111.382 173.255 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.73 -39.26 76.86 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 115.374 1.62 . . . . 10.0 115.374 171.69 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -66.87 -44.49 80.82 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.766 1.166 . . . . 10.0 110.546 179.38 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 85.8 mt -62.32 -50.71 78.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 123.535 0.734 . . . . 10.0 109.978 175.93 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.8 mp -61.27 -24.29 66.29 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.641 0.978 . . . . 10.0 113.641 177.802 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -97.69 8.28 44.95 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.221 1.009 . . . . 10.0 113.605 173.852 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.419 HH11 HG13 ' A' ' 70' ' ' ILE . 51.0 mtt180 -119.69 -34.1 3.85 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.87 1.433 . . . . 10.0 114.87 168.172 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.1 t -136.79 139.21 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.683 1.193 . . . . 10.0 109.377 -177.79 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.0 t -62.99 120.55 11.6 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 121.734 0.778 . . . . 10.0 111.434 179.641 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.71 -25.17 10.26 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.209 1.404 . . . . 10.0 113.048 169.589 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -75.38 -2.13 27.05 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.796 0.838 . . . . 10.0 112.753 175.54 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -121.32 8.92 10.29 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.171 1.388 . . . . 10.0 111.485 169.024 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.0 mt -106.38 128.14 61.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 C-N-CA 125.858 1.663 . . . . 10.0 107.894 173.845 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.4 t -68.89 -52.97 29.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 123.261 0.624 . . . . 10.0 109.323 171.079 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -165.82 177.07 7.43 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.552 0.741 . . . . 10.0 112.792 171.296 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.57 143.0 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 C-N-CA 125.201 1.401 . . . . 10.0 109.753 168.437 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -130.37 120.02 23.64 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 106.981 -1.488 . . . . 10.0 106.981 170.029 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.3 mm -106.93 113.58 43.79 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.244 0 N-CA-C 107.149 -1.426 . . . . 10.0 107.149 175.759 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 45.3 m -87.08 115.76 24.69 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 106.34 -1.726 . . . . 10.0 106.34 179.794 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -115.91 118.5 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 C-N-CA 125.989 1.716 . . . . 10.0 110.691 -177.959 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 71.0 mt -117.84 139.14 51.52 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 124.627 1.171 . . . . 10.0 109.722 171.099 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.4 p -139.81 131.9 34.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 C-N-CA 123.128 0.571 . . . . 10.0 109.887 174.2 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -146.29 159.09 43.82 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.544 1.537 . . . . 10.0 110.632 -168.365 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -146.34 105.47 3.9 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 108.76 -0.83 . . . . 10.0 108.76 176.409 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 57.1 m -131.84 94.59 3.53 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 120.709 -1.244 . . . . 10.0 110.058 174.087 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.5 t70 63.75 -30.73 0.1 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 127.01 2.124 . . . . 10.0 114.055 -169.307 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.71 160.18 39.62 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 128.398 2.679 . . . . 10.0 110.528 172.208 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 47.6 tp -85.0 129.22 34.83 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.419 1.888 . . . . 10.0 109.941 -176.484 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -122.86 136.44 54.87 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.445 1.098 . . . . 10.0 109.129 173.393 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 10.5 p -131.12 142.43 43.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 C-N-CA 125.268 1.427 . . . . 10.0 107.161 168.748 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -127.01 129.46 48.12 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 108.016 -1.105 . . . . 10.0 108.016 169.809 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.8 mt -124.51 109.2 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.83 0 N-CA-C 103.876 -2.638 . . . . 10.0 103.876 168.521 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.7 m -119.64 135.51 54.78 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 104.994 -2.225 . . . . 10.0 104.994 178.902 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -129.95 138.19 50.73 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 114.079 1.14 . . . . 10.0 114.079 -166.716 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -123.57 121.84 36.65 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.773 1.629 . . . . 10.0 107.977 -176.181 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.1 tt -127.8 113.15 15.58 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 107.587 -1.264 . . . . 10.0 107.587 -174.714 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -109.44 103.63 12.57 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.495 0.718 . . . . 10.0 109.607 -170.524 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.1 mt -82.34 151.9 26.5 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.245 1.418 . . . . 10.0 112.553 179.883 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -61.7 138.4 58.31 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.613 0.765 . . . . 10.0 109.958 168.599 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.1 pm0 -65.0 -8.57 16.5 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 115.026 1.491 . . . . 10.0 115.026 -178.391 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.26 0.77 43.83 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.418 1.487 . . . . 10.0 112.229 170.288 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.0 t -89.84 171.24 9.75 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.046 1.338 . . . . 10.0 112.85 178.16 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -159.05 118.17 2.99 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.518 1.927 . . . . 10.0 107.806 177.573 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -138.46 179.68 6.32 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.218 1.807 . . . . 10.0 111.293 174.892 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -85.18 138.45 36.71 Favored Pre-proline 0 CA--C 1.546 0.822 0 O-C-N 120.904 -1.122 . . . . 10.0 112.555 -166.331 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -74.38 49.0 1.95 Allowed 'Trans proline' 0 CA--C 1.547 1.131 1 C-N-CA 126.26 4.64 . . . . 10.0 114.009 -169.379 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.03 -1.51 0.03 OUTLIER Glycine 0 CA--C 1.536 1.359 0 C-N-CA 125.573 1.558 . . . . 10.0 115.049 178.677 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.419 HG13 HH11 ' A' ' 29' ' ' ARG . 6.1 tt -55.57 -22.65 12.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-N 119.544 1.672 . . . . 10.0 115.485 -171.77 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.405 ' O ' HG23 ' A' ' 75' ' ' VAL . 13.6 p -81.71 -27.49 9.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 C-N-CA 125.05 1.34 . . . . 10.0 113.736 175.23 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -60.21 -43.13 96.21 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 120.218 1.372 . . . . 10.0 110.284 178.448 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -64.02 -30.8 71.85 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.16 0.984 . . . . 10.0 112.302 171.678 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.414 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -67.47 -44.67 78.01 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-N 119.209 0.913 . . . . 10.0 111.421 173.732 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.467 HG12 ' CE2' ' A' ' 79' ' ' TYR . 1.6 t -68.07 -41.51 84.4 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 O-C-N 122.203 -0.311 . . . . 10.0 110.961 177.7 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -58.77 -40.82 85.03 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.604 1.162 . . . . 10.0 111.121 174.062 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.32 -37.94 87.54 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.623 -0.673 . . . . 10.0 112.505 173.032 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.15 -40.21 78.34 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-N 118.863 0.756 . . . . 10.0 112.933 171.812 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.467 ' CE2' HG12 ' A' ' 75' ' ' VAL . 47.3 m-85 -61.63 -43.0 99.67 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.374 0.988 . . . . 10.0 112.029 174.074 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 73.2 mtt-85 -70.48 -35.42 73.26 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.438 -0.788 . . . . 10.0 112.234 175.007 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 46.9 m -63.15 -40.59 98.0 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.907 0.483 . . . . 10.0 111.194 172.155 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 31.9 tp -64.15 -47.04 81.43 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 123.687 0.795 . . . . 10.0 111.449 173.954 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -63.12 -41.27 99.3 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.467 0.576 . . . . 10.0 111.117 178.534 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.1 t -67.76 -31.94 72.2 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 112.949 0.722 . . . . 10.0 112.949 174.774 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -65.29 -42.14 93.44 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.129 -0.982 . . . . 10.0 111.545 170.143 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -67.48 -30.07 69.67 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-O 117.406 -1.283 . . . . 10.0 112.345 168.46 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -61.66 -21.78 64.72 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 121.435 1.925 . . . . 10.0 111.496 169.037 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -76.25 -8.73 85.6 Favored Glycine 0 CA--C 1.54 1.628 0 O-C-N 120.738 -1.226 . . . . 10.0 113.771 168.851 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.446 ' HA ' ' HA ' ' A' ' 1' ' ' MET . 20.9 m-30 -126.68 -40.42 1.92 Allowed 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 115.445 1.646 . . . . 10.0 115.445 -168.919 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 80.4 mtt-85 -81.17 -35.52 31.33 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.259 1.024 . . . . 10.0 110.871 177.896 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 . . . . . 0 C--O 1.26 1.614 0 O-C-N 124.641 1.213 . . . . 10.0 110.034 164.295 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.6 ptt? . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 117.882 -1.056 . . . . 10.0 110.082 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.7 p 125.3 162.94 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 131.259 3.823 . . . . 10.0 111.222 176.65 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.702 HD23 ' H ' ' A' ' 3' ' ' LEU . 2.0 pt? -71.04 165.93 22.45 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.628 1.571 . . . . 10.0 113.343 179.101 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -76.85 170.93 15.58 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.861 1.264 . . . . 10.0 111.721 176.195 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -66.72 110.19 3.15 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 107.104 -1.443 . . . . 10.0 107.104 168.435 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 80.1 mt -74.6 121.44 21.6 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 123.59 0.556 . . . . 10.0 111.119 -168.612 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.9 t -141.29 -168.53 2.65 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.542 1.537 . . . . 10.0 109.98 173.183 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -48.02 -39.05 18.62 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.464 1.505 . . . . 10.0 113.329 -173.866 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.11 -47.5 64.48 Favored Glycine 0 CA--C 1.53 1.025 0 C-N-CA 123.55 0.595 . . . . 10.0 113.385 178.387 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.48 -39.98 85.25 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 118.107 0.954 . . . . 10.0 110.905 178.749 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mp -65.47 -42.65 92.03 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.106 0.962 . . . . 10.0 111.847 175.145 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -61.13 -46.17 91.67 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 119.058 0.844 . . . . 10.0 111.361 170.574 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -60.58 -44.01 96.68 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.883 0.873 . . . . 10.0 111.91 179.004 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.5 mt -64.89 -42.94 96.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-N 118.507 0.594 . . . . 10.0 110.466 174.411 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.6 p -58.71 -40.83 84.79 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 119.02 0.827 . . . . 10.0 111.981 174.824 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.0 t -68.63 -42.11 78.49 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.778 1.231 . . . . 10.0 111.515 176.941 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -60.17 -42.77 95.67 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 118.718 0.69 . . . . 10.0 111.926 178.929 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -76.89 -37.47 55.41 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 118.084 -0.96 . . . . 10.0 113.181 175.218 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -58.55 -44.34 89.63 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 120.081 1.309 . . . . 10.0 111.924 173.791 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -65.09 -41.73 94.73 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 118.648 -0.691 . . . . 10.0 111.531 171.819 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.5 m -60.91 -47.37 86.72 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.091 0.86 . . . . 10.0 111.155 -179.185 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.2 mt -65.16 -43.38 95.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-N 118.699 0.681 . . . . 10.0 110.463 175.749 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.8 m -57.3 -49.06 77.3 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.313 0.506 . . . . 10.0 111.469 179.365 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -65.25 -38.71 91.2 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.287 0.635 . . . . 10.0 112.031 176.143 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -70.52 -35.39 73.15 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 118.802 0.728 . . . . 10.0 111.466 -179.909 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.5 mt -63.44 -53.07 50.07 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-O 118.1 -0.953 . . . . 10.0 108.74 169.51 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -59.15 -34.54 72.2 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.55 1.068 . . . . 10.0 113.74 -179.447 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.73 -7.38 58.58 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.478 0.918 . . . . 10.0 113.478 174.67 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -113.77 -27.1 7.91 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 116.118 1.896 . . . . 10.0 116.118 176.73 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.06 137.69 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 126.749 2.02 . . . . 10.0 109.282 174.709 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.2 t -75.58 136.3 40.52 Favored 'General case' 0 N--CA 1.464 0.226 0 O-C-N 121.208 -0.932 . . . . 10.0 111.327 -177.043 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.92 -24.85 3.93 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.578 1.151 . . . . 10.0 113.395 169.208 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -64.08 -20.3 65.85 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.823 1.192 . . . . 10.0 113.747 171.745 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -93.09 -11.81 32.02 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.933 1.693 . . . . 10.0 112.125 176.594 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.0 mm -110.28 128.22 66.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 127.27 2.228 . . . . 10.0 110.08 -168.204 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.4 t -70.04 -52.67 28.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 123.819 0.847 . . . . 10.0 110.387 169.578 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -164.3 177.22 8.46 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.46 0.704 . . . . 10.0 112.434 178.844 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 21.2 pt -133.97 143.09 39.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 125.444 1.498 . . . . 10.0 111.818 172.403 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -116.49 118.37 32.48 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 125.052 1.341 . . . . 10.0 108.741 168.703 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.2 mt -131.15 124.57 55.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 N-CA-C 108.882 -0.784 . . . . 10.0 108.882 177.036 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 79.9 m -119.85 128.77 53.99 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 125.497 1.519 . . . . 10.0 109.155 174.555 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.0 t -115.52 124.81 72.39 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 N-CA-C 106.318 -1.734 . . . . 10.0 106.318 168.871 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -117.66 138.94 51.64 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 125.035 1.334 . . . . 10.0 108.899 178.82 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.4 p -139.67 131.14 33.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 C-N-CA 124.438 1.095 . . . . 10.0 108.523 -179.168 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -149.62 160.06 43.81 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.792 0.837 . . . . 10.0 111.301 -177.937 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -139.26 102.8 4.59 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 107.796 -1.186 . . . . 10.0 107.796 -175.678 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.2 t -131.17 80.88 1.96 Allowed 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.119 1.368 . . . . 10.0 108.166 -174.129 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.0 t70 64.64 -37.5 0.21 Allowed 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 127.656 2.382 . . . . 10.0 113.054 -166.854 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -116.2 152.21 34.19 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 127.496 2.318 . . . . 10.0 109.711 169.763 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 54.4 tp -85.3 129.04 34.89 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.777 1.231 . . . . 10.0 109.302 176.179 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -128.43 147.11 50.64 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.68 1.192 . . . . 10.0 110.183 -177.942 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 74.4 t -135.73 141.75 41.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 C-N-CA 125.704 1.602 . . . . 10.0 107.239 173.821 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -129.14 141.84 51.06 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 125.538 1.535 . . . . 10.0 108.355 170.098 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 37.6 mt -132.18 123.11 49.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 N-CA-C 108.099 -1.075 . . . . 10.0 108.099 171.496 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.1 t -126.86 122.57 35.04 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 125.022 1.329 . . . . 10.0 108.381 179.483 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.19 146.59 52.39 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.118 0.967 . . . . 10.0 110.361 -177.734 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -145.85 147.62 32.0 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 125.386 1.474 . . . . 10.0 109.311 171.919 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.9 pp -127.88 143.96 51.1 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-O 122.33 1.062 . . . . 10.0 111.818 172.206 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -106.87 109.58 21.52 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 106.936 -1.505 . . . . 10.0 106.936 -177.879 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.0 mt -82.16 151.71 26.8 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 124.183 0.993 . . . . 10.0 109.984 176.68 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -64.27 147.25 52.86 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 120.396 -0.521 . . . . 10.0 109.657 167.487 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -66.81 14.82 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.191 1.397 . . . . 10.0 114.62 -177.576 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 34.9 tp -131.2 -3.83 3.9 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 128.501 2.72 . . . . 10.0 112.092 178.535 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 53.9 m -95.5 152.49 18.38 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.822 1.249 . . . . 10.0 112.118 -178.355 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -142.11 94.4 2.66 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 123.034 1.397 . . . . 10.0 110.578 -179.503 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.22 -176.6 4.02 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.6 1.56 . . . . 10.0 112.066 172.686 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -85.54 145.54 42.28 Favored Pre-proline 0 CA--C 1.547 0.836 0 O-C-N 121.18 -0.95 . . . . 10.0 112.003 -171.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -74.41 45.84 1.3 Allowed 'Trans proline' 0 CA--C 1.548 1.22 1 C-N-CA 125.825 4.35 . . . . 10.0 113.961 -174.707 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.1 14.98 0.02 OUTLIER Glycine 0 CA--C 1.539 1.547 0 C-N-CA 126.991 2.234 . . . . 10.0 114.255 176.127 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 8.0 tt -69.6 -18.22 22.08 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-N 118.469 1.134 . . . . 10.0 113.654 -170.574 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 79.4 t -78.92 -54.48 11.71 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.292 0 C-N-CA 124.882 1.273 . . . . 10.0 109.245 169.813 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -52.89 -44.18 66.7 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 126.222 1.809 . . . . 10.0 111.559 -176.954 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -64.04 -33.27 75.36 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.702 0.631 . . . . 10.0 112.702 174.078 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.33 -40.01 67.73 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 122.067 -0.395 . . . . 10.0 111.344 175.925 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.434 HG12 ' CE2' ' A' ' 79' ' ' TYR . 1.7 t -70.55 -41.15 77.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-O 118.6 -0.714 . . . . 10.0 111.005 177.915 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -58.7 -39.57 81.15 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.748 1.158 . . . . 10.0 111.321 170.297 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.89 -37.79 88.32 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.905 0.775 . . . . 10.0 112.039 173.81 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.02 -44.29 85.12 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.326 0.966 . . . . 10.0 113.174 170.663 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.434 ' CE2' HG12 ' A' ' 75' ' ' VAL . 51.1 m-85 -60.92 -43.1 99.07 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.332 0.969 . . . . 10.0 111.688 175.887 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.5 mtt-85 -72.4 -32.83 66.7 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.993 0.738 . . . . 10.0 112.993 176.425 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.2 t -63.09 -43.66 97.9 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.733 0.813 . . . . 10.0 110.75 170.024 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 45.2 tp -61.0 -47.1 88.01 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 118.82 0.736 . . . . 10.0 111.823 174.843 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -65.26 -41.36 94.34 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.285 0.948 . . . . 10.0 111.47 177.472 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.1 t -68.11 -19.22 64.82 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.545 0.943 . . . . 10.0 113.545 175.381 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -81.02 -40.97 23.43 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.46 1.504 . . . . 10.0 111.218 172.562 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -65.91 -30.09 70.62 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 119.455 1.025 . . . . 10.0 111.828 168.532 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -61.38 -13.19 17.91 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 119.418 1.008 . . . . 10.0 112.232 168.277 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.96 7.22 58.82 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 124.814 1.197 . . . . 10.0 114.001 169.523 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -137.31 -16.35 1.4 Allowed 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 115.33 1.604 . . . . 10.0 115.33 -177.073 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -125.54 -29.35 3.2 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.228 1.196 . . . . 10.0 114.228 -172.554 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 . . . . . 0 C--O 1.252 1.214 0 CA-C-O 117.069 -1.443 . . . . 10.0 110.394 167.505 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.481 1.108 0 N-CA-C 109.13 -0.693 . . . . 10.0 109.13 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -160.01 123.1 3.49 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.068 0.947 . . . . 10.0 109.887 -173.794 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.14 161.25 13.78 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.526 1.13 . . . . 10.0 112.183 177.243 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.7 mtt85 -153.89 176.76 11.79 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.67 1.188 . . . . 10.0 112.786 -168.855 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.7 mmmt -54.69 111.0 0.72 Allowed 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.801 1.641 . . . . 10.0 108.783 168.027 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.0 mt -74.8 123.37 24.88 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 120.767 0.318 . . . . 10.0 110.986 -171.519 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.6 t -153.16 -169.19 3.25 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.915 1.286 . . . . 10.0 110.392 -179.455 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -59.53 24.51 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 130.666 3.586 . . . . 10.0 115.563 -179.051 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -144.93 -50.91 0.03 OUTLIER Glycine 0 CA--C 1.527 0.815 0 C-N-CA 126.143 1.83 . . . . 10.0 110.743 173.337 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -65.29 -38.48 90.36 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.596 -0.944 . . . . 10.0 112.387 175.739 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.9 mt -69.26 -35.49 76.15 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.695 -0.628 . . . . 10.0 111.607 173.038 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -64.56 -45.3 87.68 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.334 0.654 . . . . 10.0 110.646 173.738 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -59.85 -37.88 80.51 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.815 0.846 . . . . 10.0 112.505 172.893 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.4 mt -64.58 -40.27 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 O-C-N 120.822 -1.174 . . . . 10.0 110.418 172.636 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.3 p -60.3 -38.9 85.06 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.953 0.797 . . . . 10.0 112.327 171.354 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.03 -43.97 93.97 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.334 1.454 . . . . 10.0 111.509 174.815 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -60.98 -42.68 98.85 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.021 0.928 . . . . 10.0 111.52 176.041 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.8 mt -71.26 -46.72 60.34 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.042 0.537 . . . . 10.0 111.83 178.634 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -58.3 -47.97 81.99 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 118.598 0.635 . . . . 10.0 111.401 175.035 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -60.64 -40.85 93.5 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 119.018 -0.515 . . . . 10.0 111.447 175.111 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.6 m -61.07 -46.69 89.63 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 118.745 0.702 . . . . 10.0 111.611 179.409 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.461 HG23 ' HB1' ' A' ' 74' ' ' ALA . 47.4 mt -63.52 -45.85 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-N 118.597 0.635 . . . . 10.0 110.384 174.223 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.2 t -58.71 -50.5 73.65 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.428 0.558 . . . . 10.0 112.112 -179.327 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -63.51 -38.82 92.6 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-O 118.047 -0.978 . . . . 10.0 111.763 174.303 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -62.22 -45.7 92.18 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 120.311 1.414 . . . . 10.0 111.057 175.754 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.5 mt -59.94 -52.95 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-O 118.118 -0.944 . . . . 10.0 108.854 177.849 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.1 mp -60.74 -27.94 68.31 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.495 1.043 . . . . 10.0 113.555 178.066 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -79.79 -8.82 59.49 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.948 1.299 . . . . 10.0 114.092 172.615 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.72 -26.26 4.52 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 114.468 1.284 . . . . 10.0 114.468 -177.205 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.4 p -151.34 142.19 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 127.284 2.234 . . . . 10.0 109.389 -179.257 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.9 t -80.31 136.51 36.43 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 115.13 1.53 . . . . 10.0 115.13 -169.022 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.95 -24.62 3.8 Favored 'General case' 0 CA--C 1.551 0.998 0 O-C-N 120.758 -1.214 . . . . 10.0 112.193 165.679 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -80.44 -10.74 59.74 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 115.198 1.555 . . . . 10.0 115.198 177.768 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -113.62 -3.48 13.6 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.623 1.169 . . . . 10.0 111.67 173.387 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 75.7 mt -95.79 128.15 47.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 C-N-CA 127.01 2.124 . . . . 10.0 109.675 175.942 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.4 t -72.78 -49.98 36.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 124.294 1.038 . . . . 10.0 109.569 168.365 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -164.09 176.48 9.25 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 123.347 0.659 . . . . 10.0 112.417 176.411 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 15.5 pt -137.28 134.13 47.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 125.458 1.503 . . . . 10.0 111.003 171.915 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -103.32 122.77 45.5 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 107.491 -1.3 . . . . 10.0 107.491 168.215 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 85.0 mt -131.21 121.21 48.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 N-CA-C 109.02 -0.733 . . . . 10.0 109.02 174.573 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 85.4 m -119.73 117.83 29.27 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 125.645 1.578 . . . . 10.0 108.298 178.052 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.8 t -115.57 126.13 73.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 N-CA-C 107.52 -1.289 . . . . 10.0 107.52 172.256 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 73.9 mt -117.79 139.08 51.58 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 124.273 1.029 . . . . 10.0 108.947 178.415 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 38.6 t -139.61 136.21 39.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 C-N-CA 124.587 1.155 . . . . 10.0 108.91 -177.308 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -147.03 159.78 43.17 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.647 1.179 . . . . 10.0 110.426 -179.041 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -134.51 103.92 5.88 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.313 0.645 . . . . 10.0 110.054 169.706 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.0 m -131.27 81.02 1.96 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.243 1.417 . . . . 10.0 108.046 -179.047 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.6 t70 64.92 -43.9 0.33 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 127.784 2.434 . . . . 10.0 113.168 -168.143 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -100.4 159.7 14.93 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.567 1.947 . . . . 10.0 110.997 167.585 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.5 tp -85.23 123.86 31.21 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 107.045 -1.465 . . . . 10.0 107.045 168.236 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -123.13 136.85 54.96 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 123.091 0.556 . . . . 10.0 110.094 -179.037 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 97.6 t -135.99 146.48 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 C-N-CA 125.106 1.362 . . . . 10.0 108.743 177.011 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -137.11 144.43 43.05 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 125.517 1.527 . . . . 10.0 109.008 169.555 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 42.5 mt -132.05 128.1 58.86 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.13 0 C-N-CA 124.5 1.12 . . . . 10.0 107.985 -178.522 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.4 m -131.94 131.77 42.94 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 123.676 0.79 . . . . 10.0 109.567 168.145 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.15 143.86 50.94 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.699 0.8 . . . . 10.0 109.444 172.316 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -136.27 143.76 44.42 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.975 1.31 . . . . 10.0 109.32 173.317 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 59.1 tp -127.99 107.85 10.18 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.61 1.564 . . . . 10.0 111.518 -166.599 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -96.14 107.61 19.96 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.497 -0.557 . . . . 10.0 109.497 -178.015 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -82.17 152.11 26.62 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.138 1.375 . . . . 10.0 111.643 172.769 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.91 147.06 24.68 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.931 167.415 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -64.98 -4.07 4.19 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.912 1.449 . . . . 10.0 114.912 -177.483 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 76.8 mt -113.31 8.78 18.14 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 125.816 1.646 . . . . 10.0 112.797 173.854 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.1 m -130.13 146.39 51.77 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.971 1.308 . . . . 10.0 112.593 -171.418 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -147.26 94.47 2.4 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 123.016 1.389 . . . . 10.0 112.329 -169.284 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.97 -177.2 3.77 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.343 1.457 . . . . 10.0 112.606 168.943 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.26 146.18 44.42 Favored Pre-proline 0 CA--C 1.547 0.844 0 O-C-N 120.632 -1.293 . . . . 10.0 112.421 -169.252 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -73.17 54.63 2.77 Favored 'Trans proline' 0 CA--C 1.545 1.056 1 C-N-CA 125.805 4.337 . . . . 10.0 112.757 178.823 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.05 -12.69 0.03 OUTLIER Glycine 0 CA--C 1.535 1.323 0 C-N-CA 125.531 1.539 . . . . 10.0 114.87 -177.846 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.0 tt -57.46 -24.42 21.8 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 N-CA-C 115.114 1.524 . . . . 10.0 115.114 -173.841 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 65.1 t -76.25 -50.44 22.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 125.539 1.536 . . . . 10.0 111.144 172.787 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -56.9 -36.08 69.74 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.509 1.124 . . . . 10.0 111.313 173.892 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -63.58 -41.51 98.36 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 122.926 0.491 . . . . 10.0 110.465 172.004 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.461 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -70.47 -41.46 72.73 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 119.038 0.835 . . . . 10.0 112.218 179.394 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 43.2 t -67.44 -50.88 57.84 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 125.161 1.385 . . . . 10.0 110.458 -179.028 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -58.92 -38.28 78.58 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.631 1.105 . . . . 10.0 111.834 171.056 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.01 -37.36 86.89 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 120.267 1.394 . . . . 10.0 112.411 175.311 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.1 -39.33 93.01 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.596 -0.69 . . . . 10.0 111.727 169.163 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -63.95 -43.04 97.04 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 117.788 -1.101 . . . . 10.0 113.312 173.112 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.1 mmt180 -66.51 -33.05 74.81 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 120.743 1.611 . . . . 10.0 112.236 174.246 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 25.1 m -65.72 -42.75 90.7 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.232 0.613 . . . . 10.0 111.055 172.258 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 23.2 tp -67.21 -45.27 77.36 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.152 0.981 . . . . 10.0 112.85 174.209 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -58.9 -31.46 68.64 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.321 1.848 . . . . 10.0 110.899 176.325 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.7 m -76.87 -45.52 27.97 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.4 1.08 . . . . 10.0 111.886 169.236 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -58.7 -40.92 85.03 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.012 1.325 . . . . 10.0 113.744 -173.525 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -65.98 -4.74 7.62 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 114.561 1.319 . . . . 10.0 114.561 176.295 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -47.57 -45.6 27.31 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 120.363 1.438 . . . . 10.0 110.2 168.292 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -74.21 5.53 26.56 Favored Glycine 0 CA--C 1.538 1.517 0 N-CA-C 115.078 0.791 . . . . 10.0 115.078 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -126.12 -2.93 7.0 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.794 1.638 . . . . 10.0 113.141 177.926 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -141.64 -38.38 0.4 Allowed 'General case' 0 N--CA 1.477 0.905 0 CA-C-O 117.775 -1.107 . . . . 10.0 113.704 177.664 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 . . . . . 0 C--O 1.254 1.341 0 CA-C-O 116.188 -1.863 . . . . 10.0 112.163 -169.642 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.481 1.086 0 CA-C-O 118.317 -0.849 . . . . 10.0 108.98 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.0 t -166.64 138.79 3.6 Favored 'General case' 0 C--O 1.231 0.111 0 C-N-CA 125.344 1.457 . . . . 10.0 108.624 169.01 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.28 -175.77 2.0 Allowed 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 107.911 -1.144 . . . . 10.0 107.911 162.495 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -120.77 -167.73 1.53 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.411 1.084 . . . . 10.0 110.269 177.675 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -56.52 126.54 27.0 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.774 0.83 . . . . 10.0 109.013 171.951 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 40.2 mt -74.75 105.97 6.07 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 121.635 0.731 . . . . 10.0 110.024 -172.382 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.0 t -145.34 -170.58 3.47 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 126.133 1.773 . . . . 10.0 109.841 -175.421 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -63.79 33.18 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 129.878 3.271 . . . . 10.0 114.705 -178.126 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -145.17 -55.72 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 C-N-CA 126.676 2.084 . . . . 10.0 110.347 169.977 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.93 -43.36 99.0 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 117.896 0.848 . . . . 10.0 111.734 174.194 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.5 mt -69.25 -35.41 76.09 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.313 0.645 . . . . 10.0 111.921 176.717 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -64.74 -46.16 83.41 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 122.946 0.498 . . . . 10.0 110.521 174.94 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -63.24 -37.97 89.32 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.49 0.716 . . . . 10.0 112.312 174.241 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.6 mt -64.38 -41.5 92.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 O-C-N 120.932 -1.105 . . . . 10.0 110.128 173.921 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.2 p -58.93 -41.87 88.36 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.873 0.76 . . . . 10.0 112.025 171.098 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -44.02 97.57 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.819 1.247 . . . . 10.0 111.396 175.862 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -64.52 -42.55 95.7 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.08 0.952 . . . . 10.0 112.009 177.988 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.2 mt -67.28 -47.92 69.22 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.929 -0.482 . . . . 10.0 111.077 176.798 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.9 t-160 -59.92 -43.73 94.73 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.491 0.716 . . . . 10.0 111.63 177.436 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -60.78 -45.56 93.89 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 118.732 -0.651 . . . . 10.0 111.932 171.602 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.9 m -61.1 -46.77 89.25 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 118.736 0.698 . . . . 10.0 111.231 -175.106 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.433 HG23 ' HB1' ' A' ' 74' ' ' ALA . 52.5 mt -65.01 -44.18 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-N 117.862 0.301 . . . . 10.0 110.407 175.445 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 m -60.67 -50.54 73.1 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.41 0.684 . . . . 10.0 112.338 -178.936 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -61.01 -38.56 86.48 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-O 117.062 -1.447 . . . . 10.0 114.404 168.557 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -60.94 -45.8 93.25 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 121.629 2.013 . . . . 10.0 110.465 176.771 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 63.1 mt -61.74 -51.64 70.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-O 117.87 -1.062 . . . . 10.0 109.965 176.392 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.4 mp -63.94 -18.48 64.29 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 120.558 1.527 . . . . 10.0 114.078 178.514 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -95.57 4.6 53.0 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.333 1.453 . . . . 10.0 112.127 172.714 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -124.22 -30.87 3.39 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.554 1.542 . . . . 10.0 114.5 174.324 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.2 t -145.67 137.91 20.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 126.943 2.097 . . . . 10.0 108.308 -171.121 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 40.5 t -79.22 136.46 37.08 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 122.389 1.09 . . . . 10.0 113.782 -171.749 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.92 -24.66 3.79 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.214 1.006 . . . . 10.0 112.968 167.442 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -87.63 -3.88 58.96 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 115.348 1.61 . . . . 10.0 115.348 178.428 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -117.43 -12.18 10.45 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.734 1.214 . . . . 10.0 112.095 169.837 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.5 mt -78.34 128.05 38.46 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 C-N-CA 125.765 1.626 . . . . 10.0 109.552 169.646 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 38.4 t -74.94 -51.04 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 C-N-CA 124.897 1.279 . . . . 10.0 108.46 167.756 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -163.33 176.52 9.79 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.652 0.781 . . . . 10.0 113.061 170.129 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.0 pt -131.71 142.31 43.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 125.624 1.57 . . . . 10.0 110.003 169.845 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -122.61 112.14 17.63 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 107.969 -1.123 . . . . 10.0 107.969 179.824 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 73.3 mt -129.33 119.12 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 C-N-CA 123.891 0.876 . . . . 10.0 108.758 -175.851 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.6 m -119.65 117.59 28.7 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 125.261 1.424 . . . . 10.0 107.809 177.562 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.1 m -115.84 118.84 60.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 C-N-CA 126.317 1.847 . . . . 10.0 108.856 178.672 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 mp -117.77 139.02 51.65 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.549 1.14 . . . . 10.0 109.344 -179.914 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.3 p -139.73 139.53 37.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 C-N-CA 123.23 0.612 . . . . 10.0 109.558 174.314 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -145.55 159.98 42.32 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.664 1.186 . . . . 10.0 111.088 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -140.76 99.76 3.69 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 107.097 -1.446 . . . . 10.0 107.097 170.432 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.2 m -126.61 80.47 1.94 Allowed 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 105.765 -1.939 . . . . 10.0 105.765 -171.774 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.0 t70 61.46 -36.53 0.11 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 127.453 2.301 . . . . 10.0 113.505 -165.849 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -114.92 147.08 40.45 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 127.869 2.468 . . . . 10.0 109.599 169.493 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 36.4 tp -85.29 129.11 34.88 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.261 1.425 . . . . 10.0 109.759 177.26 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.441 ' HE2' ' HB2' ' A' ' 53' ' ' ASP . 82.0 tttt -133.96 144.08 48.56 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.609 0.719 . . . . 10.0 111.002 171.342 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.9 p -131.07 140.69 47.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 C-N-CA 126.061 1.745 . . . . 10.0 107.23 168.433 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.441 ' HB2' ' HE2' ' A' ' 51' ' ' LYS . 5.8 t0 -140.31 140.35 35.63 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 125.041 1.336 . . . . 10.0 110.071 -175.126 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 16.5 mt -132.46 129.19 58.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.285 -0.87 . . . . 10.0 108.698 -170.083 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 59.5 m -131.58 122.73 26.56 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 123.925 0.89 . . . . 10.0 108.754 169.984 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.12 138.33 49.45 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.788 0.835 . . . . 10.0 110.166 177.79 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -140.12 145.9 38.17 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.043 1.337 . . . . 10.0 109.303 -177.236 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.5 tp -127.85 126.43 41.61 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 125.06 1.344 . . . . 10.0 109.983 -168.323 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -113.14 102.92 10.84 Favored 'General case' 0 C--N 1.337 0.032 0 C-N-CA 123.585 0.754 . . . . 10.0 109.015 176.802 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 30.6 mt -82.85 151.88 25.84 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.111 1.364 . . . . 10.0 111.901 169.158 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -63.11 142.94 58.19 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 108.22 -1.03 . . . . 10.0 108.22 164.925 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -64.77 -6.14 7.39 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.152 1.167 . . . . 10.0 114.152 -174.242 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.6 mt -93.28 3.33 55.82 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.973 1.309 . . . . 10.0 114.11 171.903 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.99 147.67 48.82 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.776 1.171 . . . . 10.0 112.631 175.544 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -144.82 94.4 2.54 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.66 1.584 . . . . 10.0 110.232 -173.587 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.61 -178.43 6.73 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.895 1.278 . . . . 10.0 112.727 171.527 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -85.42 146.08 43.79 Favored Pre-proline 0 CA--C 1.547 0.848 0 O-C-N 121.199 -0.938 . . . . 10.0 113.083 -168.374 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -73.54 55.96 3.26 Favored 'Trans proline' 0 CA--C 1.545 1.035 1 C-N-CA 126.21 4.607 . . . . 10.0 113.43 -173.728 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 176.6 -3.65 0.03 OUTLIER Glycine 0 CA--C 1.539 1.544 0 C-N-CA 126.895 2.188 . . . . 10.0 114.395 178.154 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.7 tt -66.72 -23.14 30.71 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 CA-C-N 119.24 1.52 . . . . 10.0 114.119 -169.956 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.6 t -79.39 -48.71 20.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 124.263 1.025 . . . . 10.0 109.408 171.409 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.9 -40.73 70.1 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.387 1.875 . . . . 10.0 111.772 179.508 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -63.98 -33.16 75.1 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 118.593 -0.718 . . . . 10.0 112.427 171.668 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.433 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -66.51 -42.74 86.87 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 119.781 1.173 . . . . 10.0 110.827 175.075 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.445 HG12 ' CE2' ' A' ' 79' ' ' TYR . 2.4 t -66.18 -47.77 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 C-N-CA 122.976 0.51 . . . . 10.0 110.364 178.408 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -58.9 -41.48 87.29 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.658 0.783 . . . . 10.0 112.0 172.693 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.81 -39.39 94.12 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.163 -0.961 . . . . 10.0 111.377 175.556 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.15 -41.85 99.35 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 118.908 0.777 . . . . 10.0 112.333 170.243 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.445 ' CE2' HG12 ' A' ' 75' ' ' VAL . 45.6 m-85 -63.66 -43.2 97.45 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 119.21 0.914 . . . . 10.0 112.792 175.736 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -64.76 -41.68 95.71 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.727 1.149 . . . . 10.0 110.656 173.888 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 38.7 m -64.91 -31.51 72.77 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-O 117.95 -1.024 . . . . 10.0 112.41 -179.769 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -63.17 -47.19 83.67 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 119.878 1.217 . . . . 10.0 111.469 176.36 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.99 -41.24 87.09 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 118.783 -0.627 . . . . 10.0 111.538 178.093 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . 0.361 58.6 m -77.61 -17.74 57.5 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 115.106 1.521 . . . . 10.0 115.106 176.649 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -65.76 -36.43 83.54 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.055 -1.028 . . . . 10.0 109.242 164.98 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.5 mt -74.43 -34.27 63.17 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 118.036 -0.983 . . . . 10.0 112.202 171.952 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -56.7 -36.96 70.26 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.143 0.883 . . . . 10.0 108.662 166.934 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -75.64 -4.15 74.83 Favored Glycine 0 C--N 1.345 1.057 0 C-N-CA 125.021 1.296 . . . . 10.0 114.149 -177.661 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -121.81 -16.61 7.6 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 114.209 1.188 . . . . 10.0 114.209 179.281 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 82.1 mtm180 -148.15 -31.33 0.28 Allowed 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 116.143 1.905 . . . . 10.0 116.143 -174.812 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 . . . . . 0 C--O 1.256 1.396 0 CA-C-O 115.979 -1.962 . . . . 10.0 111.391 -166.453 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.484 1.23 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 m -172.65 -36.32 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.409 1.483 . . . . 10.0 111.079 171.265 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.445 HD23 ' H ' ' A' ' 3' ' ' LEU . 1.6 pt? -67.02 166.33 13.91 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 122.996 0.519 . . . . 10.0 109.966 166.81 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.47 178.15 7.52 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.921 0.888 . . . . 10.0 111.114 -175.189 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -58.84 113.52 2.1 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.866 0.867 . . . . 10.0 108.662 169.019 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 mp -74.54 116.55 15.36 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 121.313 0.578 . . . . 10.0 110.532 -168.666 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.5 t -141.68 -169.41 2.89 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.102 1.361 . . . . 10.0 110.188 177.125 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -48.47 -36.37 14.9 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.55 1.54 . . . . 10.0 113.159 -177.093 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.44 -48.84 60.51 Favored Glycine 0 CA--C 1.533 1.182 0 CA-C-O 119.372 -0.682 . . . . 10.0 113.661 176.95 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.98 -42.75 89.44 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.696 1.248 . . . . 10.0 110.907 177.052 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.4 mp -65.08 -37.9 89.02 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 118.448 -0.787 . . . . 10.0 112.624 176.772 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -66.73 -45.8 77.51 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 119.338 0.972 . . . . 10.0 111.625 169.413 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -59.57 -44.3 93.33 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 119.6 1.091 . . . . 10.0 111.408 178.87 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.0 mt -65.12 -46.53 90.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 C-N-CA 123.416 0.686 . . . . 10.0 110.466 175.181 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.3 m -64.64 -38.39 90.83 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.382 -0.824 . . . . 10.0 111.406 -178.28 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.0 t -67.58 -43.45 80.52 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.439 1.495 . . . . 10.0 112.019 172.7 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -56.83 -42.51 79.77 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 119.158 0.89 . . . . 10.0 111.459 172.987 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.3 mt -69.37 -47.22 64.92 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 118.395 -0.812 . . . . 10.0 111.915 176.911 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -56.45 -49.92 73.2 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.669 1.122 . . . . 10.0 111.732 174.32 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -63.03 -34.93 78.62 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 118.961 -0.542 . . . . 10.0 111.41 178.94 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.8 m -61.1 -46.08 92.07 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 118.961 0.8 . . . . 10.0 111.368 174.771 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.521 HG23 ' HB1' ' A' ' 74' ' ' ALA . 52.5 mt -66.03 -48.29 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-N 118.532 0.606 . . . . 10.0 110.689 175.934 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.5 m -60.71 -45.3 94.75 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.188 0.595 . . . . 10.0 111.83 -178.408 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.04 -38.85 90.28 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 114.088 1.144 . . . . 10.0 114.088 169.029 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -62.88 -45.81 90.81 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 120.345 1.43 . . . . 10.0 110.268 176.176 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.1 mt -60.11 -53.04 54.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-O 118.04 -0.981 . . . . 10.0 109.62 177.844 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.4 mp -62.74 -13.75 36.38 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 114.264 1.209 . . . . 10.0 114.264 179.308 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -107.5 4.68 26.38 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.218 1.407 . . . . 10.0 112.157 175.576 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.8 tpt85 -125.05 -29.39 3.33 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.043 1.737 . . . . 10.0 113.305 -179.917 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.7 t -143.16 144.09 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 128.298 2.639 . . . . 10.0 108.655 170.341 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.7 t -73.06 136.46 44.97 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 120.623 -1.298 . . . . 10.0 112.298 177.307 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.89 -24.81 3.87 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.631 1.572 . . . . 10.0 113.323 168.631 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -63.26 -43.13 98.85 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.906 1.23 . . . . 10.0 111.224 169.812 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -73.13 -12.78 61.02 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.222 1.409 . . . . 10.0 112.232 -176.365 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 86.1 mt -105.71 128.11 60.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 C-N-CA 128.119 2.568 . . . . 10.0 109.272 -175.055 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.1 t -73.32 -50.33 31.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 123.542 0.737 . . . . 10.0 109.542 169.294 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -162.11 174.66 12.66 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.399 0.679 . . . . 10.0 112.688 172.058 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.0 pt -133.67 143.04 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 125.273 1.429 . . . . 10.0 110.563 172.554 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -123.38 117.58 25.52 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 108.432 -0.951 . . . . 10.0 108.432 177.689 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.9 mt -131.14 121.75 49.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 108.538 -0.912 . . . . 10.0 108.538 -174.284 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.2 m -119.84 126.87 52.03 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 124.88 1.272 . . . . 10.0 109.1 176.459 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 67.9 t -115.53 130.12 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.122 0 N-CA-C 107.042 -1.466 . . . . 10.0 107.042 169.32 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 72.2 mt -117.68 139.27 51.25 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 124.923 1.289 . . . . 10.0 108.398 172.898 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.8 p -139.1 131.07 36.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 108.421 -0.955 . . . . 10.0 108.421 178.155 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -139.19 155.48 47.79 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.926 1.29 . . . . 10.0 110.415 -169.778 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -142.35 102.34 4.07 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 108.784 -0.821 . . . . 10.0 108.784 175.791 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.2 m -131.7 89.4 2.69 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 120.93 -1.106 . . . . 10.0 109.435 173.914 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.7 t70 63.7 -28.94 0.09 Allowed 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 127.093 2.157 . . . . 10.0 114.205 -168.942 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -129.72 154.65 46.97 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 127.249 2.22 . . . . 10.0 110.149 171.168 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 53.1 tp -85.37 129.21 34.86 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.308 1.843 . . . . 10.0 110.048 177.799 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 56.1 tttm -131.77 142.2 49.69 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.809 1.243 . . . . 10.0 110.406 -178.295 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 86.9 t -136.15 141.24 42.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 125.424 1.49 . . . . 10.0 108.482 176.773 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -137.39 137.45 38.85 Favored 'General case' 0 C--O 1.233 0.237 0 C-N-CA 125.35 1.46 . . . . 10.0 107.871 179.631 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.419 HG21 HD11 ' A' ' 22' ' ' ILE . 30.6 mt -132.1 131.61 61.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 N-CA-C 109.21 -0.663 . . . . 10.0 109.21 179.062 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 65.5 m -131.81 133.16 44.39 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 124.377 1.071 . . . . 10.0 110.303 169.169 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.22 147.54 52.61 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.42 1.088 . . . . 10.0 110.824 177.657 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.93 147.48 48.12 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 125.828 1.651 . . . . 10.0 111.239 -176.64 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -127.84 104.38 7.79 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 125.849 1.66 . . . . 10.0 109.004 -169.865 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -103.57 102.85 12.74 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.095 -1.076 . . . . 10.0 108.095 175.671 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 39.3 mt -88.64 152.1 22.04 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.898 2.079 . . . . 10.0 111.775 -175.267 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -59.46 147.09 37.86 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 121.061 0.458 . . . . 10.0 111.07 169.436 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -67.75 7.6 0.48 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 126.388 1.875 . . . . 10.0 113.323 -177.499 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 93.0 mt -129.37 3.39 5.13 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 127.749 2.42 . . . . 10.0 111.964 178.533 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.6 m -88.83 162.9 15.92 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.943 1.297 . . . . 10.0 111.635 175.339 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -158.01 110.7 2.38 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.298 1.439 . . . . 10.0 107.662 -177.479 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -131.95 -178.47 4.9 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 126.503 1.921 . . . . 10.0 112.631 -172.219 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -85.51 143.71 39.12 Favored Pre-proline 0 CA--C 1.546 0.825 0 O-C-N 120.904 -1.122 . . . . 10.0 112.572 -168.724 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -74.48 46.21 1.38 Allowed 'Trans proline' 0 CA--C 1.547 1.17 1 C-N-CA 125.865 4.377 . . . . 10.0 113.696 -176.257 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.09 13.61 0.02 OUTLIER Glycine 0 CA--C 1.539 1.588 0 C-N-CA 127.067 2.27 . . . . 10.0 114.291 177.007 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.0 tt -63.83 -25.42 38.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-N 118.67 1.235 . . . . 10.0 114.064 -169.252 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.446 ' O ' HG23 ' A' ' 75' ' ' VAL . 7.3 p -86.07 -38.4 12.65 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.184 0 C-N-CA 124.56 1.144 . . . . 10.0 112.259 175.022 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -54.45 -36.5 64.14 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.753 1.221 . . . . 10.0 111.002 174.752 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -63.72 -40.78 97.61 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.584 0.754 . . . . 10.0 111.75 171.793 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.521 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -68.2 -43.18 78.62 Favored 'General case' 0 C--N 1.345 0.375 0 CA-C-N 118.65 0.659 . . . . 10.0 111.672 177.515 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.467 HG12 ' CE2' ' A' ' 79' ' ' TYR . 1.8 t -67.91 -45.26 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 O-C-N 122.043 -0.411 . . . . 10.0 110.508 -179.839 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -58.9 -37.33 76.37 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.114 0.966 . . . . 10.0 112.147 170.85 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.456 ' N ' HH21 ' A' ' 80' ' ' ARG . . . -62.94 -40.57 98.05 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 120.105 -1.622 . . . . 10.0 111.772 172.64 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.09 -43.12 88.2 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 118.524 -0.751 . . . . 10.0 112.67 171.364 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.467 ' CE2' HG12 ' A' ' 75' ' ' VAL . 42.7 m-85 -62.35 -43.03 99.77 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 120.189 1.359 . . . . 10.0 112.541 177.298 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.456 HH21 ' N ' ' A' ' 77' ' ' ALA . 87.5 mtm180 -67.87 -32.17 72.49 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.429 0.692 . . . . 10.0 111.906 174.103 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 40.0 m -70.03 -34.9 73.87 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.318 0.647 . . . . 10.0 112.081 172.589 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -66.34 -46.57 76.35 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.27 1.028 . . . . 10.0 111.012 173.049 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -58.84 -41.27 86.53 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 122.088 -0.382 . . . . 10.0 111.443 173.048 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.2 m -65.55 -36.25 83.25 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.174 0.989 . . . . 10.0 112.304 175.334 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -65.65 -42.2 91.69 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.269 -0.894 . . . . 10.0 111.614 176.545 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -73.99 -34.1 64.08 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.109 0.868 . . . . 10.0 112.486 175.048 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -55.33 -40.06 70.73 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.757 0.708 . . . . 10.0 109.35 167.992 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.54 -2.05 9.85 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 124.851 1.215 . . . . 10.0 115.441 175.732 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -133.27 -14.63 2.6 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 115.468 1.655 . . . . 10.0 115.468 178.709 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -138.65 -18.29 1.08 Allowed 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 115.691 1.737 . . . . 10.0 115.691 177.724 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 . . . . . 0 C--O 1.251 1.152 0 CA-C-N 119.331 0.969 . . . . 10.0 110.757 -168.058 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.2 mtm . . . . . 0 N--CA 1.482 1.126 0 CA-C-O 119.101 -0.476 . . . . 10.0 110.172 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.8 m 48.16 54.52 10.09 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 115.734 1.753 . . . . 10.0 115.734 168.455 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 76.1 mt -48.51 157.97 0.32 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.343 1.457 . . . . 10.0 113.82 175.209 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -110.07 179.15 4.18 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.93 1.692 . . . . 10.0 110.556 -178.822 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -63.99 107.78 1.34 Allowed 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 107.158 -1.423 . . . . 10.0 107.158 171.37 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.9 mt -74.42 111.74 9.91 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-O 121.575 0.702 . . . . 10.0 110.959 -166.725 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.9 t -140.15 -168.19 2.48 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.214 1.406 . . . . 10.0 110.172 179.521 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -47.35 -37.5 11.23 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.874 1.67 . . . . 10.0 113.411 -175.791 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.33 -50.71 36.73 Favored Glycine 0 CA--C 1.533 1.177 0 CA-C-N 118.93 0.786 . . . . 10.0 113.6 178.237 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.87 -43.54 98.53 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 118.294 1.047 . . . . 10.0 110.244 178.602 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.3 mp -65.68 -42.56 91.12 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.58 1.152 . . . . 10.0 112.437 177.733 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -61.59 -46.23 90.75 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.398 0.999 . . . . 10.0 111.173 171.55 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -61.77 -44.16 97.44 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 118.77 0.714 . . . . 10.0 111.788 -179.289 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 84.7 mt -65.01 -42.87 95.82 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 122.945 0.498 . . . . 10.0 110.597 174.5 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.0 p -58.93 -38.08 78.14 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 118.974 0.806 . . . . 10.0 112.713 173.744 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.4 t -70.92 -42.15 70.26 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 124.804 1.242 . . . . 10.0 111.175 177.576 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -58.8 -42.63 89.55 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.881 0.764 . . . . 10.0 111.475 172.763 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.8 mt -66.9 -50.19 63.22 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 118.776 -0.63 . . . . 10.0 111.781 176.543 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -57.72 -49.87 75.11 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 119.226 0.921 . . . . 10.0 111.673 177.403 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -61.48 -37.53 83.96 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 118.615 -0.707 . . . . 10.0 111.115 178.528 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.2 m -61.11 -45.82 93.12 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 118.986 0.812 . . . . 10.0 111.832 175.721 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.646 HG23 ' HB1' ' A' ' 74' ' ' ALA . 59.5 mt -64.53 -47.55 88.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 118.878 0.763 . . . . 10.0 110.528 175.556 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.7 m -62.34 -42.77 99.66 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 118.436 0.562 . . . . 10.0 112.315 -178.909 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -65.49 -38.59 90.19 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.483 0.713 . . . . 10.0 111.913 172.085 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -61.32 -45.54 94.01 Favored 'General case' 0 C--N 1.345 0.371 0 CA-C-N 119.046 0.839 . . . . 10.0 111.061 173.232 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 63.6 mt -59.9 -47.69 90.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 118.902 0.774 . . . . 10.0 109.69 177.157 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.79 -26.99 67.67 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.749 1.018 . . . . 10.0 113.749 174.27 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.7 7.25 42.56 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.929 1.085 . . . . 10.0 113.929 171.533 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.82 -38.49 2.73 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.692 1.197 . . . . 10.0 114.151 178.758 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.9 t -148.18 153.27 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 125.682 1.593 . . . . 10.0 109.693 -177.065 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.5 t -84.67 136.49 33.72 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 115.151 1.537 . . . . 10.0 115.151 -169.287 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.02 -24.58 3.88 Favored 'General case' 0 CA--C 1.55 0.944 0 O-C-N 120.921 -1.112 . . . . 10.0 112.929 166.571 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -71.07 -10.22 59.38 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.839 1.422 . . . . 10.0 114.839 174.761 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -129.69 -21.52 3.08 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.532 1.533 . . . . 10.0 112.94 178.436 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.6 mm -70.86 110.74 4.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 N-CA-C 106.745 -1.576 . . . . 10.0 106.745 168.441 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.4 t -68.88 -47.41 76.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 C-N-CA 124.479 1.112 . . . . 10.0 109.718 175.434 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -162.58 177.02 9.8 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.062 0.945 . . . . 10.0 111.558 174.16 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.2 pt -141.07 138.01 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 125.131 1.372 . . . . 10.0 111.475 173.189 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -105.37 123.94 48.72 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 107.375 -1.342 . . . . 10.0 107.375 167.35 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 72.3 mt -131.11 122.6 51.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 N-CA-C 108.142 -1.058 . . . . 10.0 108.142 173.399 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 90.1 m -119.85 126.59 51.35 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 124.698 1.199 . . . . 10.0 109.174 175.752 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 66.8 t -115.45 129.29 71.98 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.097 0 N-CA-C 106.734 -1.58 . . . . 10.0 106.734 169.202 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 74.6 mt -117.68 139.29 51.22 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 125.092 1.357 . . . . 10.0 108.15 174.75 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.6 p -135.33 131.95 52.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 107.41 -1.329 . . . . 10.0 107.41 174.832 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -143.11 156.63 44.84 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.477 1.111 . . . . 10.0 110.488 -167.0 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -137.51 112.4 8.98 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 109.521 -0.548 . . . . 10.0 109.521 -178.065 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 99.4 m -131.84 85.83 2.28 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.153 -0.967 . . . . 10.0 109.481 171.309 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.4 t70 64.63 -35.08 0.17 Allowed 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 127.293 2.237 . . . . 10.0 113.82 -168.593 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -120.78 157.48 29.62 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 127.987 2.515 . . . . 10.0 110.566 170.877 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -85.32 129.13 34.87 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 126.438 1.895 . . . . 10.0 109.506 178.785 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 tmmt? -131.34 150.22 52.24 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.304 1.042 . . . . 10.0 110.647 177.608 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.5 t -132.27 145.05 35.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 125.383 1.473 . . . . 10.0 108.542 177.735 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.48 138.55 49.03 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.936 1.694 . . . . 10.0 107.638 175.382 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.416 HG21 HD11 ' A' ' 22' ' ' ILE . 24.9 mt -132.06 130.68 61.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 N-CA-C 109.025 -0.732 . . . . 10.0 109.025 178.271 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.8 m -131.97 138.24 48.22 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 123.772 0.829 . . . . 10.0 110.703 168.505 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.23 151.19 51.72 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.201 1.0 . . . . 10.0 109.975 172.111 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -141.66 146.05 35.68 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.798 1.239 . . . . 10.0 110.433 173.654 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -120.01 105.76 11.35 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 126.677 1.991 . . . . 10.0 110.324 -167.66 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -92.04 102.92 15.48 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 108.436 -0.95 . . . . 10.0 108.436 174.389 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.8 mt -92.64 151.81 19.9 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 124.813 1.245 . . . . 10.0 111.038 172.052 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -58.95 147.02 35.84 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 121.241 0.543 . . . . 10.0 111.306 169.025 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -69.28 9.85 0.39 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.258 1.423 . . . . 10.0 114.506 -174.745 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.1 mt -124.47 1.3 8.31 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.673 1.989 . . . . 10.0 112.808 179.938 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.4 164.8 12.31 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.298 0.954 . . . . 10.0 112.309 172.258 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -155.44 107.44 2.64 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.156 1.782 . . . . 10.0 107.265 -171.688 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -130.03 -177.36 4.27 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.534 1.934 . . . . 10.0 111.621 -174.673 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -85.23 135.13 39.5 Favored Pre-proline 0 CA--C 1.548 0.89 0 O-C-N 120.719 -1.238 . . . . 10.0 112.394 -166.714 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -74.99 62.4 5.85 Favored 'Trans proline' 0 C--N 1.356 0.943 1 C-N-CA 125.8 4.334 . . . . 10.0 112.786 -169.889 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.1 -8.73 0.03 OUTLIER Glycine 0 CA--C 1.533 1.179 0 C-N-CA 125.013 1.292 . . . . 10.0 115.211 -177.242 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 31.6 mt -53.84 -31.19 20.18 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 CA-C-N 120.051 1.925 . . . . 10.0 113.999 -178.84 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.6 t -60.76 -60.59 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 123.786 0.835 . . . . 10.0 110.029 171.173 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -57.12 -37.36 71.87 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 125.318 1.447 . . . . 10.0 111.311 179.066 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.64 -37.43 87.33 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 118.741 -0.647 . . . . 10.0 110.837 174.392 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.646 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -67.77 -41.75 82.77 Favored 'General case' 0 C--N 1.343 0.322 0 CA-C-N 119.263 0.938 . . . . 10.0 111.151 -179.875 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.569 HG12 ' CE2' ' A' ' 79' ' ' TYR . 2.9 t -72.91 -43.05 60.27 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 122.598 0.359 . . . . 10.0 111.139 179.695 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -58.82 -39.2 80.49 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.28 1.832 . . . . 10.0 112.304 171.971 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.59 -44.69 93.32 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.357 -0.839 . . . . 10.0 111.553 170.509 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.71 -43.49 94.1 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.913 0.778 . . . . 10.0 112.217 173.24 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.569 ' CE2' HG12 ' A' ' 75' ' ' VAL . 37.6 m-85 -62.39 -43.23 99.31 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.847 0.749 . . . . 10.0 112.341 177.226 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 23.1 mtt85 -71.44 -27.07 63.02 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.325 0.966 . . . . 10.0 113.077 173.7 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.7 p -63.19 -42.23 99.31 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 118.811 0.732 . . . . 10.0 110.897 169.486 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.2 tp -67.97 -44.13 77.42 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.075 0.95 . . . . 10.0 111.187 178.668 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -58.8 -41.23 86.28 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.302 1.041 . . . . 10.0 111.343 173.572 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.1 m -72.39 -28.89 63.29 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.025 0.93 . . . . 10.0 112.84 176.204 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -79.16 -42.43 26.16 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.931 0.892 . . . . 10.0 111.618 -177.461 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -67.86 -26.84 66.23 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.719 1.145 . . . . 10.0 113.307 178.635 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -63.16 1.15 0.5 Allowed 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 126.866 2.066 . . . . 10.0 112.825 167.552 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -138.07 19.19 3.29 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 125.85 1.69 . . . . 10.0 112.836 168.945 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -137.78 -27.17 0.93 Allowed 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 115.379 1.622 . . . . 10.0 115.379 -177.532 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 33.8 mtp85 -117.35 -40.51 3.06 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.556 1.071 . . . . 10.0 113.812 177.393 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.114 0 C-N-CA 126.681 1.992 . . . . 10.0 110.062 -172.945 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mmt . . . . . 0 N--CA 1.48 1.072 0 N-CA-C 110.211 -0.292 . . . . 10.0 110.211 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 m -167.9 126.52 1.24 Allowed 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.107 1.363 . . . . 10.0 108.93 169.799 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.8 mt -73.0 169.0 17.88 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.854 0.862 . . . . 10.0 111.801 175.382 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 27.2 mmt85 -122.08 -166.28 1.38 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.339 1.856 . . . . 10.0 109.07 170.369 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.02 131.64 40.99 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 121.419 -0.8 . . . . 10.0 110.372 174.374 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.2 mt -74.82 106.94 6.6 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 121.841 -0.537 . . . . 10.0 110.207 -172.931 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.3 t -149.75 -169.08 3.28 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 126.093 1.757 . . . . 10.0 108.734 -174.894 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.53 21.78 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 129.929 3.292 . . . . 10.0 114.604 -169.299 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -136.07 -56.21 0.06 OUTLIER Glycine 0 CA--C 1.528 0.875 0 C-N-CA 127.289 2.376 . . . . 10.0 110.331 173.808 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -61.74 -41.19 97.34 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.172 0.986 . . . . 10.0 112.727 175.172 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.8 mt -68.57 -36.3 78.56 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.687 -0.633 . . . . 10.0 111.741 176.722 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -67.7 -42.27 82.26 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.24 0.616 . . . . 10.0 111.328 173.661 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -58.74 -44.06 90.4 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.921 0.888 . . . . 10.0 111.408 173.496 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 79.1 mt -67.14 -45.14 87.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-O 118.62 -0.705 . . . . 10.0 111.643 176.187 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.3 m -59.32 -38.17 79.6 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 120.1 1.318 . . . . 10.0 111.731 172.37 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.7 t -66.06 -43.83 86.31 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.178 -0.952 . . . . 10.0 112.025 174.922 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -61.06 -41.12 96.0 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.179 0.992 . . . . 10.0 111.79 174.745 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.5 mt -63.85 -48.72 75.64 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.859 0.864 . . . . 10.0 111.737 174.104 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -58.51 -48.87 79.41 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 118.42 0.554 . . . . 10.0 111.405 176.002 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.15 -37.48 85.38 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-O 118.539 -0.743 . . . . 10.0 111.482 176.65 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.7 m -60.99 -47.17 87.7 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.156 0.889 . . . . 10.0 110.771 178.786 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.586 HG23 ' HB1' ' A' ' 74' ' ' ALA . 65.8 mt -65.66 -43.38 93.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-N 118.382 0.537 . . . . 10.0 110.722 176.206 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.4 t -58.39 -50.92 71.96 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 122.916 0.486 . . . . 10.0 111.956 176.928 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.16 -39.0 77.7 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 112.941 0.719 . . . . 10.0 112.941 171.706 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.488 ' CE1' ' HD3' ' A' ' 29' ' ' ARG . 31.4 t80 -66.82 -45.77 77.25 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.657 0.662 . . . . 10.0 110.946 -179.522 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 87.5 mt -62.34 -47.51 92.71 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 C-N-CA 124.078 0.951 . . . . 10.0 110.361 176.502 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.09 -9.11 19.9 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.694 0.998 . . . . 10.0 113.694 176.713 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.8 mtmt -117.65 18.45 14.18 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.034 1.734 . . . . 10.0 112.087 170.859 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.488 ' HD3' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -120.6 -41.3 2.59 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 127.451 2.3 . . . . 10.0 113.215 168.893 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.4 t -144.25 152.1 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.599 1.56 . . . . 10.0 109.757 -174.08 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.1 t -80.74 136.51 36.17 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 115.336 1.606 . . . . 10.0 115.336 -169.928 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.62 -24.62 3.41 Favored 'General case' 0 CA--C 1.551 0.981 0 O-C-N 120.776 -1.202 . . . . 10.0 112.603 165.314 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -74.82 -11.32 60.12 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 115.043 1.498 . . . . 10.0 115.043 175.073 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -127.22 -22.28 3.76 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.547 1.139 . . . . 10.0 112.522 179.737 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.1 mm -70.88 116.79 13.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 N-CA-C 106.566 -1.642 . . . . 10.0 106.566 167.056 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.2 t -71.29 -49.25 49.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 C-N-CA 123.707 0.803 . . . . 10.0 109.61 170.244 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -163.64 176.12 9.95 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.776 0.831 . . . . 10.0 112.183 171.082 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.7 pt -134.78 142.97 38.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 124.861 1.264 . . . . 10.0 110.564 171.738 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -127.51 116.47 20.44 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 123.992 0.917 . . . . 10.0 108.665 179.39 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.2 mt -131.14 120.06 45.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 N-CA-C 108.671 -0.863 . . . . 10.0 108.671 -173.697 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 41.3 m -119.86 117.24 27.62 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 123.884 0.874 . . . . 10.0 108.728 171.303 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -116.18 117.94 57.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 C-N-CA 125.107 1.363 . . . . 10.0 111.459 172.599 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 mp -116.93 139.24 50.88 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 125.833 1.653 . . . . 10.0 109.775 -171.753 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.7 p -135.47 140.97 43.68 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 124.172 0.989 . . . . 10.0 110.187 -176.821 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -140.14 159.56 41.92 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 127.181 2.192 . . . . 10.0 110.7 -173.036 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -134.09 98.96 4.27 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 105.286 -2.116 . . . . 10.0 105.286 164.815 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 92.3 m -131.62 80.55 1.93 Allowed 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 106.208 -1.775 . . . . 10.0 106.208 -173.329 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.5 t70 60.95 -43.89 0.12 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 127.517 2.327 . . . . 10.0 112.965 -165.735 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -98.31 154.01 18.12 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.823 2.049 . . . . 10.0 109.963 168.037 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.5 tp -85.27 122.34 29.31 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 105.201 -2.148 . . . . 10.0 105.201 165.561 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -135.88 137.36 41.36 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.93 0.395 . . . . 10.0 111.15 -175.781 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.7 p -136.15 137.93 47.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 C-N-CA 125.131 1.372 . . . . 10.0 108.29 177.139 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -136.82 146.31 45.5 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 124.09 0.956 . . . . 10.0 110.905 178.049 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.442 HG21 HD11 ' A' ' 22' ' ' ILE . 17.1 mt -132.0 117.21 32.58 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 124.787 1.235 . . . . 10.0 109.843 -166.97 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.3 t -116.18 125.01 51.71 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 124.359 1.064 . . . . 10.0 108.972 174.592 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.22 141.83 50.08 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.39 1.076 . . . . 10.0 110.693 178.905 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.35 147.51 52.58 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 125.989 1.716 . . . . 10.0 111.137 -176.622 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -126.8 104.4 8.04 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 125.692 1.597 . . . . 10.0 108.746 -169.947 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -103.13 117.46 34.6 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.324 -0.991 . . . . 10.0 108.324 175.89 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 16.8 mt -122.47 151.81 40.93 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 127.231 2.212 . . . . 10.0 110.704 -168.336 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -66.77 146.91 53.94 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 112.66 0.615 . . . . 10.0 112.66 179.099 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.07 -10.79 43.64 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.317 1.447 . . . . 10.0 114.565 -177.869 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.9 mp -104.01 0.09 29.47 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 119.768 1.167 . . . . 10.0 112.444 170.835 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 61.7 p -76.84 169.73 17.78 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.93 0.892 . . . . 10.0 113.264 177.284 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -158.56 106.28 1.89 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.647 1.579 . . . . 10.0 107.993 179.231 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -131.36 173.9 10.61 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.18 1.792 . . . . 10.0 111.713 -177.681 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -85.32 139.73 36.31 Favored Pre-proline 0 CA--C 1.547 0.833 0 O-C-N 121.147 -0.971 . . . . 10.0 113.442 -166.15 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -75.17 48.75 2.12 Favored 'Trans proline' 0 CA--C 1.545 1.058 1 C-N-CA 126.265 4.643 . . . . 10.0 113.416 -172.138 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.05 3.89 0.02 OUTLIER Glycine 0 CA--C 1.537 1.421 0 C-N-CA 127.1 2.286 . . . . 10.0 114.436 -177.677 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.5 tt -63.08 -20.44 25.84 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 CA-C-N 119.792 1.796 . . . . 10.0 114.328 -174.599 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.8 p -86.0 -32.73 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 C-N-CA 124.665 1.186 . . . . 10.0 112.695 169.773 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.24 -36.09 76.96 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 119.095 0.861 . . . . 10.0 110.158 171.538 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -63.64 -40.75 97.66 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 119.059 -0.496 . . . . 10.0 110.54 171.246 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.586 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -68.1 -43.8 77.68 Favored 'General case' 0 C--N 1.343 0.324 0 CA-C-N 119.35 0.977 . . . . 10.0 112.416 -177.359 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.536 HG12 ' CE2' ' A' ' 79' ' ' TYR . 9.2 t -72.21 -40.73 66.18 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-O 118.873 -0.584 . . . . 10.0 110.517 -179.849 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -58.68 -42.81 89.39 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.64 1.176 . . . . 10.0 111.754 170.114 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.23 -40.08 96.44 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 118.745 -0.645 . . . . 10.0 111.968 173.912 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.8 -44.8 95.2 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.26 0.936 . . . . 10.0 112.315 172.637 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.536 ' CE2' HG12 ' A' ' 75' ' ' VAL . 47.6 m-85 -61.65 -43.14 99.42 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 118.953 0.797 . . . . 10.0 112.242 176.103 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 75.8 mtt-85 -72.18 -36.02 69.13 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.693 -0.63 . . . . 10.0 112.348 177.966 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 42.2 t -63.01 -43.5 98.57 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 123.831 0.852 . . . . 10.0 109.958 173.383 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 46.3 tp -66.15 -47.61 73.46 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-O 118.478 -0.772 . . . . 10.0 112.594 -178.911 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -73.3 -28.15 61.93 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 119.431 1.014 . . . . 10.0 110.765 -178.698 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.2 m -63.98 -50.21 69.44 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.222 0.464 . . . . 10.0 110.644 169.25 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -60.68 -36.45 78.78 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.206 1.003 . . . . 10.0 112.505 177.858 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -67.79 -8.75 38.47 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 117.52 -1.229 . . . . 10.0 113.796 173.219 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -59.93 -16.41 29.6 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 120.873 1.669 . . . . 10.0 113.001 169.524 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -90.55 -2.72 72.54 Favored Glycine 0 CA--C 1.533 1.206 0 CA-C-O 118.527 -1.152 . . . . 10.0 114.077 172.962 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -143.5 -14.23 0.67 Allowed 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 116.309 1.966 . . . . 10.0 116.309 -168.924 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 30.4 mtp85 -132.1 -5.01 3.48 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 116.601 2.074 . . . . 10.0 116.601 -176.464 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 . . . . . 0 C--O 1.251 1.14 0 CA-C-O 117.581 -1.199 . . . . 10.0 111.925 -179.866 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 86.3 mt . . . . . 0 CA--C 1.534 0.331 0 CA-C-O 121.162 0.506 . . . . 10.0 110.916 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.5 t -128.91 -171.22 2.42 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.215 1.406 . . . . 10.0 109.54 170.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -42.94 -45.25 4.94 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.922 1.689 . . . . 10.0 112.825 -175.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.46 -56.66 22.07 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 123.719 0.676 . . . . 10.0 113.245 178.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.44 -42.22 98.67 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.333 1.053 . . . . 10.0 110.299 -177.235 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.3 mt -67.93 -40.28 83.37 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.561 1.144 . . . . 10.0 110.74 -178.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . 0.308 6.3 m-20 -70.32 -35.36 73.58 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 115.51 1.67 . . . . 10.0 115.51 168.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -54.89 -42.14 71.77 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 121.135 1.789 . . . . 10.0 110.348 169.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 83.5 mt -68.18 -44.62 84.09 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 CA-C-O 118.288 -0.863 . . . . 10.0 112.091 171.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 p -58.81 -40.63 84.64 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 120.34 1.427 . . . . 10.0 111.595 177.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.6 t -68.6 -43.95 75.38 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.648 1.579 . . . . 10.0 111.688 175.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -60.01 -42.37 94.16 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 118.692 0.678 . . . . 10.0 111.845 174.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.0 mt -65.61 -46.9 77.56 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.814 0.846 . . . . 10.0 111.805 175.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -58.31 -49.05 78.54 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 118.742 0.701 . . . . 10.0 111.904 176.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.69 -40.29 91.66 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-O 118.714 -0.66 . . . . 10.0 111.192 174.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.3 m -60.93 -45.3 95.22 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 118.843 0.747 . . . . 10.0 110.81 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.532 HG23 ' HB1' ' A' ' 74' ' ' ALA . 57.3 mt -66.15 -46.45 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 118.934 0.788 . . . . 10.0 111.072 174.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.3 t -60.57 -50.46 73.43 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.623 0.647 . . . . 10.0 112.085 -177.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -63.79 -35.27 80.05 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.098 0.959 . . . . 10.0 111.865 175.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.466 ' CE1' ' HD3' ' A' ' 29' ' ' ARG . 22.9 t80 -65.42 -45.0 85.59 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.439 -0.788 . . . . 10.0 111.949 172.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.6 mt -60.05 -45.08 96.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 O-C-N 121.029 -1.044 . . . . 10.0 109.348 174.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.6 mp -64.07 -27.41 69.08 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.794 1.035 . . . . 10.0 113.794 175.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.8 ptmt -86.85 6.61 30.95 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 119.935 1.243 . . . . 10.0 113.381 169.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.466 ' HD3' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -113.7 -48.84 2.91 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 126.148 1.779 . . . . 10.0 113.316 174.109 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.5 p -151.56 146.07 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 125.021 1.329 . . . . 10.0 110.107 -178.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.0 t -68.36 136.96 54.18 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 114.403 1.26 . . . . 10.0 114.403 -169.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.62 -24.43 3.28 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.433 1.493 . . . . 10.0 112.891 168.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -91.92 -9.91 41.46 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 114.577 1.325 . . . . 10.0 114.577 175.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -92.69 -20.26 20.99 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 125.41 1.484 . . . . 10.0 111.383 169.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.9 mt -79.54 128.41 38.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 130.99 3.716 . . . . 10.0 110.891 172.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 23.4 t -74.06 -50.62 27.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 123.968 0.907 . . . . 10.0 108.937 166.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -162.45 174.56 12.55 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.144 0.794 . . . . 10.0 113.144 170.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.4 pt -132.16 141.87 44.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 125.35 1.46 . . . . 10.0 110.156 170.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -127.43 111.1 13.46 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 124.231 1.012 . . . . 10.0 108.352 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.4 mt -129.44 118.86 46.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 109.046 -0.724 . . . . 10.0 109.046 -173.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.0 m -119.77 117.98 29.65 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 124.751 1.221 . . . . 10.0 108.378 175.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 68.0 t -106.58 125.57 62.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 N-CA-C 107.224 -1.399 . . . . 10.0 107.224 173.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.1 mp -117.67 139.02 51.58 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.494 1.118 . . . . 10.0 108.533 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.6 p -139.66 134.87 39.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 108.444 -0.947 . . . . 10.0 108.444 176.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -143.86 157.42 44.38 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 124.146 0.978 . . . . 10.0 110.281 -169.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -139.87 108.19 5.82 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 109.589 -0.522 . . . . 10.0 109.589 177.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.36 80.58 1.94 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.819 1.248 . . . . 10.0 108.9 178.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.0 t70 62.74 -43.89 0.19 Allowed 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 127.409 2.283 . . . . 10.0 112.79 -167.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -106.56 159.68 16.0 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 127.018 2.127 . . . . 10.0 111.097 167.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 tt -93.05 129.39 39.01 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.575 1.95 . . . . 10.0 109.894 -175.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -121.57 141.37 51.15 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.369 0.668 . . . . 10.0 111.605 173.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.8 t -136.05 124.88 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 N-CA-C 106.408 -1.701 . . . . 10.0 106.408 172.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -133.23 125.52 29.55 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 124.561 1.145 . . . . 10.0 108.226 -173.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.487 HG21 HD11 ' A' ' 22' ' ' ILE . 37.9 mt -120.93 123.73 70.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 N-CA-C 108.259 -1.015 . . . . 10.0 108.259 -172.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 27.7 t -122.93 122.2 38.01 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 124.52 1.128 . . . . 10.0 108.904 176.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.25 139.91 49.74 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.024 0.93 . . . . 10.0 110.635 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -129.19 139.19 51.99 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 126.555 1.942 . . . . 10.0 109.278 175.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -128.13 112.73 14.88 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 125.631 1.572 . . . . 10.0 107.84 -172.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -113.96 102.89 10.62 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 108.649 -0.871 . . . . 10.0 108.649 -175.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.3 mt -85.12 152.07 23.66 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 126.105 1.762 . . . . 10.0 111.391 176.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -58.25 147.32 31.01 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.873 0.694 . . . . 10.0 112.873 171.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -68.5 41.12 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 128.77 2.828 . . . . 10.0 112.718 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.0 tt -160.58 -32.92 0.05 Allowed 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 128.71 2.804 . . . . 10.0 110.973 -169.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.5 m -64.96 162.1 17.22 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.738 1.615 . . . . 10.0 112.099 173.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -155.55 116.43 3.87 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.679 1.592 . . . . 10.0 106.867 -177.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -137.75 -176.58 4.47 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.713 2.005 . . . . 10.0 112.065 -173.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -85.29 143.81 39.83 Favored Pre-proline 0 CA--C 1.547 0.862 0 O-C-N 120.949 -1.094 . . . . 10.0 113.158 -166.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -74.74 51.51 2.71 Favored 'Trans proline' 0 CA--C 1.545 1.064 1 C-N-CA 126.079 4.519 . . . . 10.0 113.208 -174.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.01 -3.08 0.03 OUTLIER Glycine 0 CA--C 1.537 1.417 0 C-N-CA 127.323 2.392 . . . . 10.0 114.348 -177.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.9 tt -57.63 -25.81 25.7 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 N-CA-C 115.17 1.544 . . . . 10.0 115.17 -169.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.8 t -80.08 -51.33 16.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 124.975 1.31 . . . . 10.0 110.411 174.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -54.33 -36.08 63.39 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 125.614 1.566 . . . . 10.0 111.519 177.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -63.38 -36.48 83.85 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 122.843 0.457 . . . . 10.0 110.444 175.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.532 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -70.85 -41.87 70.89 Favored 'General case' 0 C--N 1.342 0.246 0 CA-C-N 119.083 0.856 . . . . 10.0 111.349 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.456 HG12 ' CE2' ' A' ' 79' ' ' TYR . 1.3 t -69.24 -45.99 78.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-O 119.264 -0.398 . . . . 10.0 110.087 -179.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -58.7 -42.48 88.71 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.121 1.368 . . . . 10.0 111.865 172.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.51 -41.07 98.53 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.691 0.678 . . . . 10.0 111.1 175.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.38 -44.79 93.73 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 118.135 -0.936 . . . . 10.0 112.168 172.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.456 ' CE2' HG12 ' A' ' 75' ' ' VAL . 45.5 m-85 -65.33 -43.82 89.71 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.949 1.249 . . . . 10.0 112.032 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 45.9 mtm180 -72.79 -35.18 67.34 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.192 0.812 . . . . 10.0 113.192 178.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 21.9 t -67.11 -32.56 73.78 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 118.03 -0.986 . . . . 10.0 111.888 171.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -67.41 -46.21 73.87 Favored 'General case' 0 C--N 1.34 0.184 0 CA-C-N 119.275 0.943 . . . . 10.0 110.652 171.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -59.02 -41.17 87.12 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 118.588 -0.72 . . . . 10.0 111.901 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.1 t -78.9 -32.74 45.86 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.313 0.961 . . . . 10.0 113.053 175.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -58.85 -39.17 80.51 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 119.697 -1.877 . . . . 10.0 111.425 169.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.531 0.248 0 CA-C-O 116.713 -1.613 . . . . 10.0 114.002 170.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 78.0 mt . . . . . 0 CA--C 1.534 0.328 0 CA-C-O 121.255 0.55 . . . . 10.0 110.935 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.0 t -135.35 -168.72 2.24 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.323 1.449 . . . . 10.0 110.158 175.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -47.12 -43.75 20.93 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.423 1.489 . . . . 10.0 112.626 -174.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.45 -49.13 76.73 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 123.543 0.592 . . . . 10.0 113.58 178.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.41 -42.29 88.04 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 117.86 0.83 . . . . 10.0 111.001 177.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.3 mp -62.04 -40.58 96.21 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.021 0.929 . . . . 10.0 113.136 175.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -66.2 -46.06 78.61 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 119.355 0.98 . . . . 10.0 111.734 170.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -44.33 96.95 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 118.544 0.611 . . . . 10.0 111.73 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 75.1 mt -66.95 -42.43 88.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 123.743 0.817 . . . . 10.0 110.206 177.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.8 m -61.66 -40.68 95.77 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.698 -0.626 . . . . 10.0 111.346 177.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 t -68.51 -40.69 80.73 Favored 'General case' 0 C--N 1.341 0.233 0 CA-C-O 118.168 -0.92 . . . . 10.0 112.377 172.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -59.57 -41.2 89.66 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 119.657 1.117 . . . . 10.0 111.509 176.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.1 mt -66.81 -49.43 65.84 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.704 0.801 . . . . 10.0 111.856 174.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -56.34 -48.85 75.91 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.767 0.712 . . . . 10.0 111.583 174.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -62.15 -37.79 86.54 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.658 0.783 . . . . 10.0 111.524 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 95.1 m -61.11 -46.49 90.37 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.291 0.95 . . . . 10.0 111.173 176.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.517 HG23 ' HB1' ' A' ' 74' ' ' ALA . 39.7 mt -65.93 -43.79 92.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-N 118.314 0.506 . . . . 10.0 110.607 175.232 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.4 t -57.22 -50.96 71.23 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.73 0.812 . . . . 10.0 111.953 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.26 -38.87 77.77 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 114.862 1.43 . . . . 10.0 114.862 169.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -67.33 -45.5 76.25 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.574 1.079 . . . . 10.0 110.484 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 60.3 mt -60.02 -49.66 83.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 124.064 0.946 . . . . 10.0 110.363 174.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.07 -21.27 64.81 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 114.101 1.148 . . . . 10.0 114.101 177.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -101.63 10.65 39.97 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.86 1.264 . . . . 10.0 112.728 173.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -119.57 -37.82 3.09 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.361 1.464 . . . . 10.0 113.749 171.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.1 t -147.0 147.79 17.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 125.395 1.478 . . . . 10.0 109.905 178.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.6 t -73.66 136.94 43.86 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 113.879 1.066 . . . . 10.0 113.879 -177.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.78 -24.34 3.39 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.005 1.322 . . . . 10.0 113.022 167.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -87.07 -2.46 58.65 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.803 1.409 . . . . 10.0 114.803 173.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -108.14 -28.23 9.63 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 126.282 1.833 . . . . 10.0 110.582 172.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 90.1 mt -75.9 128.29 37.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 C-N-CA 127.793 2.437 . . . . 10.0 110.359 169.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 36.5 t -72.59 -52.45 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 C-N-CA 123.58 0.752 . . . . 10.0 109.331 168.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -164.71 177.03 8.3 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.865 0.866 . . . . 10.0 112.123 172.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 15.0 pt -135.24 129.5 50.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 125.523 1.529 . . . . 10.0 110.906 175.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -98.95 118.81 36.56 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 108.221 -1.029 . . . . 10.0 108.221 168.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 57.1 mt -131.19 124.46 55.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 N-CA-C 108.453 -0.943 . . . . 10.0 108.453 172.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 52.7 m -119.73 120.28 36.11 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 125.924 1.69 . . . . 10.0 107.765 175.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.2 t -115.49 120.24 64.15 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.145 0 N-CA-C 107.322 -1.362 . . . . 10.0 107.322 171.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -117.84 139.25 51.37 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 124.99 1.316 . . . . 10.0 108.936 179.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.4 p -133.89 139.46 48.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 C-N-CA 123.435 0.694 . . . . 10.0 109.308 177.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.9 158.05 43.94 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.238 1.415 . . . . 10.0 110.223 -168.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -142.33 100.9 3.8 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.453 0.701 . . . . 10.0 109.651 174.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.9 t -131.1 82.5 2.05 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.899 1.28 . . . . 10.0 108.553 -178.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.7 t70 66.7 -44.61 0.44 Allowed 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 128.2 2.6 . . . . 10.0 112.494 -167.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -107.53 157.78 17.75 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.133 1.773 . . . . 10.0 110.672 168.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.9 tt -85.27 129.06 34.89 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.034 1.333 . . . . 10.0 108.059 173.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -131.26 147.1 52.55 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.693 0.797 . . . . 10.0 110.993 -179.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 67.9 t -136.04 135.06 50.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 C-N-CA 124.899 1.28 . . . . 10.0 108.451 176.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -108.29 140.94 40.82 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 107.313 -1.366 . . . . 10.0 107.313 166.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.1 mt -131.63 110.09 16.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 N-CA-C 105.517 -2.031 . . . . 10.0 105.517 169.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 56.4 m -120.78 121.67 38.68 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 107.546 -1.279 . . . . 10.0 107.546 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.45 149.63 52.46 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.05 0.94 . . . . 10.0 111.988 -177.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.95 147.4 35.16 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.654 1.582 . . . . 10.0 110.408 172.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 54.9 tp -127.97 104.28 7.71 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.622 1.569 . . . . 10.0 110.148 -169.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -96.64 102.86 14.72 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 108.968 -0.753 . . . . 10.0 108.968 -177.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 45.3 mt -85.61 151.9 23.54 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.434 1.094 . . . . 10.0 111.27 174.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.417 ' C ' ' H ' ' A' ' 63' ' ' LEU . 26.0 t0 -59.05 147.15 35.8 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 112.147 0.425 . . . . 10.0 112.147 170.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -67.46 19.74 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.751 2.02 . . . . 10.0 113.896 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.417 ' H ' ' C ' ' A' ' 61' ' ' ASP . 14.1 tp -137.62 6.35 2.72 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 128.39 2.676 . . . . 10.0 111.457 -177.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.0 m -127.42 139.26 52.95 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.97 1.308 . . . . 10.0 111.605 -174.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -138.34 94.32 2.85 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.583 1.553 . . . . 10.0 110.13 -170.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.57 -173.92 3.92 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.952 1.701 . . . . 10.0 112.267 172.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -85.37 146.04 43.83 Favored Pre-proline 0 CA--C 1.548 0.878 0 O-C-N 121.044 -1.035 . . . . 10.0 111.559 -170.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -73.21 44.16 0.81 Allowed 'Trans proline' 0 CA--C 1.547 1.15 1 C-N-CA 126.209 4.606 . . . . 10.0 114.645 -169.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.14 9.93 0.02 OUTLIER Glycine 0 CA--C 1.537 1.45 0 C-N-CA 127.058 2.266 . . . . 10.0 114.141 177.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.8 tt -62.17 -23.12 30.92 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 CA-C-N 119.461 1.63 . . . . 10.0 114.696 -169.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.2 p -86.07 -30.14 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 124.189 0.995 . . . . 10.0 113.039 170.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -59.99 -36.06 76.38 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.642 1.11 . . . . 10.0 110.525 173.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -63.67 -36.69 84.68 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.17 0.588 . . . . 10.0 111.275 171.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.517 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -67.46 -43.12 81.8 Favored 'General case' 0 C--N 1.344 0.352 0 CA-C-N 119.011 0.823 . . . . 10.0 111.802 176.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.495 HG12 ' CE2' ' A' ' 79' ' ' TYR . 1.8 t -69.66 -41.31 80.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-O 118.324 -0.846 . . . . 10.0 110.82 178.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -58.73 -42.23 88.28 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 119.692 1.133 . . . . 10.0 111.512 170.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.81 -39.7 95.08 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.832 0.742 . . . . 10.0 111.323 177.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.12 -43.36 87.38 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.107 0.781 . . . . 10.0 113.107 171.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.495 ' CE2' HG12 ' A' ' 75' ' ' VAL . 39.2 m-85 -63.94 -43.36 96.12 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.55 1.068 . . . . 10.0 111.963 178.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 -72.58 -30.35 64.31 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.792 0.837 . . . . 10.0 112.342 177.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 48.5 t -63.13 -45.88 89.87 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 121.807 -0.558 . . . . 10.0 110.376 168.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -62.97 -43.11 99.68 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.659 0.784 . . . . 10.0 111.499 176.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -58.81 -41.21 86.25 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.542 1.137 . . . . 10.0 111.165 175.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.7 t -78.3 -17.91 55.97 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.423 1.268 . . . . 10.0 114.423 174.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -79.98 -36.34 36.2 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.878 1.271 . . . . 10.0 110.964 176.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.548 0.868 0 C-N-CA 124.826 1.251 . . . . 10.0 113.058 177.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 73.2 mt . . . . . 0 CA--C 1.529 0.17 0 N-CA-C 108.313 -0.995 . . . . 10.0 108.313 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.6 t -153.41 -172.72 4.32 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 126.997 2.119 . . . . 10.0 107.959 -175.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -40.92 -47.19 2.94 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.987 1.715 . . . . 10.0 113.211 -177.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.8 -59.49 9.11 Favored Glycine 0 CA--C 1.535 1.342 0 CA-C-N 119.07 0.85 . . . . 10.0 114.609 178.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.53 -42.65 99.13 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 117.796 0.798 . . . . 10.0 111.226 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.0 mt -70.15 -39.35 75.4 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-O 118.666 -0.683 . . . . 10.0 112.123 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -62.24 -46.13 90.23 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 119.354 0.979 . . . . 10.0 111.296 171.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -62.51 -37.86 87.69 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.113 0.869 . . . . 10.0 112.137 176.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.9 mt -64.7 -39.68 86.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 O-C-N 120.85 -1.156 . . . . 10.0 110.347 172.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.0 p -59.58 -38.33 80.9 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.494 1.043 . . . . 10.0 112.58 171.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.18 -43.86 90.32 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 125.271 1.428 . . . . 10.0 111.36 174.086 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -60.19 -42.6 95.41 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.671 0.788 . . . . 10.0 111.477 174.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.1 mt -65.18 -49.7 68.79 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.635 0.774 . . . . 10.0 111.819 175.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.7 t-160 -59.03 -44.71 91.79 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.955 0.902 . . . . 10.0 111.928 179.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -63.19 -43.4 98.3 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 118.65 -0.69 . . . . 10.0 111.473 172.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.2 m -61.05 -46.68 89.71 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.292 0.951 . . . . 10.0 111.812 -178.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.535 HG23 ' HB1' ' A' ' 74' ' ' ALA . 57.4 mt -64.13 -44.2 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 CA-C-N 118.232 0.469 . . . . 10.0 110.34 175.169 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.7 m -60.17 -47.57 85.38 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.219 0.608 . . . . 10.0 111.784 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -63.73 -38.63 91.82 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.022 0.929 . . . . 10.0 111.595 175.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.422 ' HA ' ' HG2' ' A' ' 28' ' ' LYS . 26.7 t80 -63.52 -45.43 90.65 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 118.921 0.782 . . . . 10.0 111.762 174.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 54.3 mt -59.89 -49.41 84.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 C-N-CA 123.583 0.753 . . . . 10.0 109.323 175.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.61 -28.55 69.97 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.747 1.017 . . . . 10.0 113.747 176.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.422 ' HG2' ' HA ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -84.5 0.27 50.38 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 119.882 1.219 . . . . 10.0 113.631 171.736 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -116.12 -37.98 3.71 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.041 1.336 . . . . 10.0 114.449 177.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.4 p -148.02 149.41 15.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.083 1.353 . . . . 10.0 110.788 -170.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.3 t -88.16 136.51 32.94 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 115.782 1.771 . . . . 10.0 115.782 -168.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.69 -24.28 3.25 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.003 1.321 . . . . 10.0 113.162 167.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.0 -16.02 61.08 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 115.064 1.505 . . . . 10.0 115.064 173.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -115.65 -25.32 7.89 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.384 1.474 . . . . 10.0 111.876 177.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.4 mm -73.01 121.04 22.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 124.57 1.148 . . . . 10.0 108.644 167.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.2 t -72.55 -49.4 41.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 C-N-CA 123.554 0.742 . . . . 10.0 109.419 168.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -161.67 175.56 11.9 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.352 0.871 . . . . 10.0 113.352 173.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.2 pt -133.09 143.16 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 C-N-CA 125.733 1.613 . . . . 10.0 110.884 170.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -123.34 130.83 53.28 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 106.096 -1.816 . . . . 10.0 106.096 167.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 47.6 mt -131.22 123.43 53.36 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.267 0 N-CA-C 106.893 -1.521 . . . . 10.0 106.893 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.2 m -119.66 117.51 28.48 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 107.676 -1.231 . . . . 10.0 107.676 -174.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.2 t -115.75 129.63 71.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 N-CA-C 108.146 -1.057 . . . . 10.0 108.146 175.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -115.56 133.98 55.51 Favored 'General case' 0 C--N 1.334 -0.098 0 N-CA-C 107.8 -1.185 . . . . 10.0 107.8 171.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.4 p -139.96 132.96 35.15 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 123.442 0.697 . . . . 10.0 110.491 177.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -153.26 160.23 42.72 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.013 0.925 . . . . 10.0 111.79 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -127.47 108.94 11.25 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.169 0.588 . . . . 10.0 109.822 174.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.5 t -131.29 80.7 1.95 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.919 1.288 . . . . 10.0 108.474 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 59.97 -36.94 0.08 Allowed 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 128.445 2.698 . . . . 10.0 114.347 -166.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -108.02 156.52 19.15 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 129.029 2.931 . . . . 10.0 109.321 168.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.6 tp -85.33 129.11 34.88 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.382 1.073 . . . . 10.0 109.58 171.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -117.69 126.98 53.46 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 108.641 -0.874 . . . . 10.0 108.641 169.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.5 p -136.27 123.52 33.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 C-N-CA 124.664 1.186 . . . . 10.0 108.002 169.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -136.62 136.71 39.41 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 124.698 1.199 . . . . 10.0 108.671 -169.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 51.9 mt -132.18 135.82 57.54 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 C-N-CA 123.916 0.887 . . . . 10.0 110.131 -168.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.5 t -131.11 139.4 49.83 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 125.233 1.413 . . . . 10.0 108.005 167.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.23 138.32 49.29 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 121.599 0.714 . . . . 10.0 109.506 170.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -126.76 128.93 47.39 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 126.353 1.861 . . . . 10.0 107.44 -172.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 50.7 tp -127.84 117.0 21.02 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 124.356 1.062 . . . . 10.0 108.939 -170.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -113.63 106.96 15.14 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.23 -0.656 . . . . 10.0 109.23 -171.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -82.27 151.86 26.6 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.815 1.646 . . . . 10.0 111.962 176.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -61.07 147.39 43.96 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.01 167.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -64.94 4.43 0.44 Allowed 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.7 1.37 . . . . 10.0 114.7 -178.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 86.3 mt -126.06 21.86 7.39 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 127.909 2.484 . . . . 10.0 111.64 175.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 65.5 m -148.79 160.28 43.36 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 120.118 -1.614 . . . . 10.0 112.774 172.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -158.89 103.25 1.69 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.509 1.124 . . . . 10.0 109.503 -169.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.57 -174.38 1.1 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.62 1.568 . . . . 10.0 113.45 176.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -85.26 143.65 39.63 Favored Pre-proline 0 CA--C 1.547 0.858 0 O-C-N 120.59 -1.319 . . . . 10.0 111.742 -170.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -73.56 60.63 4.26 Favored 'Trans proline' 0 CA--C 1.544 1.013 1 C-N-CA 125.811 4.341 . . . . 10.0 113.237 -171.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 166.51 -9.36 0.06 OUTLIER Glycine 0 CA--C 1.535 1.342 0 C-N-CA 126.407 1.956 . . . . 10.0 114.297 -177.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.1 tt -55.09 -27.88 20.13 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 C-N-CA 125.759 1.623 . . . . 10.0 114.835 -172.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 79.5 t -78.79 -51.55 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 125.612 1.565 . . . . 10.0 110.856 174.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -53.68 -37.72 63.49 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.279 1.032 . . . . 10.0 111.323 175.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -63.77 -38.6 91.69 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 119.035 -0.507 . . . . 10.0 111.953 171.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.535 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -68.29 -41.5 80.86 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 119.367 0.985 . . . . 10.0 111.441 178.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.47 HG12 ' CE2' ' A' ' 79' ' ' TYR . 12.0 t -71.33 -41.2 74.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 CA-C-O 118.699 -0.667 . . . . 10.0 110.728 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -58.73 -42.93 89.92 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.81 1.244 . . . . 10.0 111.672 169.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.91 -39.38 94.37 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 118.88 -0.581 . . . . 10.0 111.105 175.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.14 -45.01 90.4 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.003 0.819 . . . . 10.0 112.508 170.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.47 ' CE2' HG12 ' A' ' 75' ' ' VAL . 36.3 m-85 -65.43 -43.66 89.78 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.468 1.031 . . . . 10.0 112.43 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 47.4 mtm180 -72.77 -29.35 63.23 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 113.391 0.886 . . . . 10.0 113.391 176.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.8 m -67.17 -43.05 83.21 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 118.464 0.575 . . . . 10.0 110.804 169.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 40.3 tp -63.46 -44.72 93.65 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 123.622 0.769 . . . . 10.0 111.835 175.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -61.09 -41.6 96.96 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.108 0.563 . . . . 10.0 111.156 175.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -68.15 -35.95 78.89 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.672 0.789 . . . . 10.0 112.179 177.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -70.12 -42.29 72.83 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.938 1.295 . . . . 10.0 111.367 174.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.0 tp . . . . . 0 CA--C 1.535 0.401 0 CA-C-N 118.639 0.654 . . . . 10.0 111.695 -179.217 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 mp . . . . . 0 CA--C 1.535 0.402 0 CA-C-O 121.322 0.582 . . . . 10.0 111.168 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.5 t -140.33 -170.82 3.07 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.122 1.369 . . . . 10.0 110.078 169.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -46.77 -39.09 11.1 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.838 1.655 . . . . 10.0 113.498 -175.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.46 -45.07 91.86 Favored Glycine 0 CA--C 1.533 1.211 0 CA-C-O 119.299 -0.723 . . . . 10.0 113.701 176.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.67 -40.31 80.22 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 118.61 1.205 . . . . 10.0 111.275 176.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.2 mp -64.88 -38.82 92.25 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 117.783 -1.103 . . . . 10.0 112.203 175.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -67.04 -46.19 75.14 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 120.109 1.322 . . . . 10.0 110.088 168.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -55.06 -43.88 74.25 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 120.273 1.397 . . . . 10.0 111.173 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.3 mt -68.66 -49.15 67.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 124.098 0.959 . . . . 10.0 111.418 174.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.2 t -60.03 -45.83 91.52 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.768 1.167 . . . . 10.0 112.709 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.2 m -66.32 -40.9 90.23 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.395 1.878 . . . . 10.0 111.452 175.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -61.23 -41.83 97.55 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.562 1.074 . . . . 10.0 112.457 171.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.0 mt -65.91 -44.59 84.73 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.524 0.73 . . . . 10.0 111.44 175.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -58.02 -48.66 79.4 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.263 0.625 . . . . 10.0 111.304 174.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.6 -41.49 94.84 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-O 118.817 -0.611 . . . . 10.0 111.769 172.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 94.4 m -60.99 -43.55 98.7 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.474 1.034 . . . . 10.0 111.014 -176.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 54.7 mt -69.86 -48.33 64.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 118.259 0.482 . . . . 10.0 111.029 173.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.8 t -60.69 -47.23 87.17 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 118.553 0.615 . . . . 10.0 112.141 -175.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -65.39 -38.74 90.9 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 118.138 -0.934 . . . . 10.0 111.863 173.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -59.51 -45.7 90.95 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 120.274 1.397 . . . . 10.0 110.699 173.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 46.4 mt -61.94 -52.89 55.08 Favored 'Isoleucine or valine' 0 C--N 1.342 0.242 0 CA-C-O 118.001 -1.0 . . . . 10.0 109.581 177.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -59.08 -32.45 69.8 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.714 1.143 . . . . 10.0 113.382 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -85.04 -2.66 58.24 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.591 1.157 . . . . 10.0 113.457 176.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -117.85 -33.18 4.57 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.366 1.466 . . . . 10.0 113.013 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 43.5 t -140.33 129.29 26.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 126.601 1.96 . . . . 10.0 109.066 169.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.7 t -69.61 136.34 51.1 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 121.838 -0.539 . . . . 10.0 112.207 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.93 -24.68 3.82 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.078 1.751 . . . . 10.0 114.862 178.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.7 ptmm? -57.62 -23.93 53.73 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 120.396 1.453 . . . . 10.0 114.698 171.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -86.64 -13.5 45.42 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.601 1.56 . . . . 10.0 112.842 174.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 77.3 mt -105.47 127.24 60.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 124.76 1.224 . . . . 10.0 109.874 -168.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 47.0 t -70.93 -52.22 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 108.824 -0.806 . . . . 10.0 108.824 169.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -164.62 177.24 8.21 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.712 0.805 . . . . 10.0 112.41 171.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.1 pt -131.59 136.53 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 125.398 1.479 . . . . 10.0 110.205 168.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -108.86 129.16 55.4 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 105.63 -1.989 . . . . 10.0 105.63 166.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 69.2 mt -131.26 123.48 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 N-CA-C 107.064 -1.458 . . . . 10.0 107.064 173.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 81.9 m -119.61 117.47 28.41 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 108.194 -1.039 . . . . 10.0 108.194 178.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.9 t -116.04 120.03 63.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 C-N-CA 124.692 1.197 . . . . 10.0 109.457 172.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 mp -117.08 139.26 50.93 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 125.978 1.711 . . . . 10.0 108.884 176.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.0 p -139.23 131.06 35.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 C-N-CA 123.746 0.819 . . . . 10.0 108.906 177.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -151.83 160.05 43.68 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 121.927 0.87 . . . . 10.0 112.147 -178.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -135.45 113.99 11.7 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 108.284 -1.006 . . . . 10.0 108.284 -172.018 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.39 80.12 1.92 Allowed 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 108.011 -1.107 . . . . 10.0 108.011 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.6 t70 59.54 -35.75 0.07 Allowed 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 126.104 1.761 . . . . 10.0 113.585 -165.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -98.11 159.66 14.79 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 129.799 3.239 . . . . 10.0 109.244 168.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 33.8 tp -104.83 129.09 53.2 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 108.41 -0.959 . . . . 10.0 108.41 168.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.78 150.36 49.44 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 122.614 1.197 . . . . 10.0 112.866 168.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.9 p -136.28 134.48 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 126.36 1.864 . . . . 10.0 107.91 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -131.72 131.02 42.7 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 125.493 1.517 . . . . 10.0 108.42 -169.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.2 mt -132.13 130.49 60.86 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 C-N-CA 124.172 0.989 . . . . 10.0 108.837 -169.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.8 t -128.43 134.98 48.9 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 107.511 -1.292 . . . . 10.0 107.511 167.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.29 138.1 49.12 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 121.326 0.584 . . . . 10.0 109.439 169.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -129.02 135.46 48.98 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 125.556 1.542 . . . . 10.0 107.889 -176.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 53.4 tp -126.68 104.35 8.04 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 124.332 1.053 . . . . 10.0 108.322 -172.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -100.08 102.79 14.23 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 107.576 -1.268 . . . . 10.0 107.576 -175.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 52.1 mt -85.45 151.9 23.62 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 124.974 1.31 . . . . 10.0 111.596 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -61.76 147.14 47.19 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.847 170.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -69.73 16.61 0.06 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.202 1.801 . . . . 10.0 113.529 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.57 4.9 4.3 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 127.883 2.473 . . . . 10.0 112.042 -178.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.7 t -111.78 174.43 5.88 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.699 1.2 . . . . 10.0 112.82 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -158.99 115.93 2.73 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.326 1.85 . . . . 10.0 108.529 -174.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -130.84 -173.86 3.21 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.649 1.979 . . . . 10.0 112.698 -178.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -85.39 142.52 37.84 Favored Pre-proline 0 CA--C 1.548 0.885 0 O-C-N 120.769 -1.207 . . . . 10.0 110.793 -169.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -73.67 41.96 0.66 Allowed 'Trans proline' 0 CA--C 1.549 1.233 1 C-N-CA 125.533 4.155 . . . . 10.0 113.959 -176.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.07 19.17 0.03 OUTLIER Glycine 0 CA--C 1.542 1.719 0 C-N-CA 127.628 2.537 . . . . 10.0 113.442 175.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.4 tt -65.15 -29.74 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 N-CA-C 114.36 1.244 . . . . 10.0 114.36 -168.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.2 p -86.11 -33.66 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 C-N-CA 124.536 1.134 . . . . 10.0 112.13 175.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.57 -40.53 72.08 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.652 1.181 . . . . 10.0 111.078 174.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -64.01 -33.5 75.87 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 112.961 0.726 . . . . 10.0 112.961 170.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.99 -41.86 90.53 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 119.763 1.165 . . . . 10.0 111.368 172.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.453 HG12 ' CE2' ' A' ' 79' ' ' TYR . 2.3 t -67.32 -44.98 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 122.466 0.306 . . . . 10.0 110.842 178.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -58.64 -41.0 84.99 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.546 1.138 . . . . 10.0 111.764 172.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.85 -40.14 96.56 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 120.964 -1.085 . . . . 10.0 111.834 173.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.56 95.71 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.054 0.843 . . . . 10.0 112.139 172.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.453 ' CE2' HG12 ' A' ' 75' ' ' VAL . 44.9 m-85 -63.34 -43.64 97.13 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.784 0.72 . . . . 10.0 112.557 177.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -72.28 -35.61 68.76 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 118.439 0.563 . . . . 10.0 112.143 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.7 t -68.28 -25.08 64.98 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 117.974 -1.012 . . . . 10.0 112.749 172.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 18.3 tp -76.15 -40.44 52.62 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 119.573 1.079 . . . . 10.0 111.446 169.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -58.84 -36.82 75.17 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.354 0.662 . . . . 10.0 111.14 176.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 97.0 p -79.57 -35.48 39.71 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 114.316 1.228 . . . . 10.0 114.316 169.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -58.89 -33.84 70.97 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 120.805 1.639 . . . . 10.0 112.262 174.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.553 1.083 0 C-N-CA 125.616 1.566 . . . . 10.0 113.995 174.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.9 mt . . . . . 0 CA--C 1.532 0.274 0 CA-C-O 122.179 0.99 . . . . 10.0 108.438 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -153.01 -175.15 5.2 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 128.207 2.603 . . . . 10.0 106.49 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -43.33 -40.54 3.63 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.801 2.04 . . . . 10.0 114.28 -172.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.0 -57.52 11.77 Favored Glycine 0 CA--C 1.534 1.22 0 CA-C-N 119.164 0.893 . . . . 10.0 113.708 177.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.96 -41.66 98.24 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 117.513 0.656 . . . . 10.0 110.949 177.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mp -64.11 -44.27 92.8 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.072 0.949 . . . . 10.0 113.497 176.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -66.71 -39.75 88.15 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 119.208 0.913 . . . . 10.0 111.462 174.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -66.29 -37.17 84.79 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.805 1.184 . . . . 10.0 112.485 174.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.0 mt -65.4 -42.14 92.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 O-C-N 120.719 -1.238 . . . . 10.0 110.569 172.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.0 t -58.53 -45.87 87.97 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.006 0.821 . . . . 10.0 111.557 172.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.05 -44.49 83.02 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.892 1.677 . . . . 10.0 111.693 173.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -68.09 -43.44 78.52 Favored 'General case' 0 C--O 1.236 0.372 0 O-C-N 121.727 -0.608 . . . . 10.0 112.208 -177.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -76.59 -36.94 57.24 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 113.667 0.988 . . . . 10.0 113.667 177.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -59.36 -47.54 85.02 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.531 1.06 . . . . 10.0 110.169 171.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -59.88 -41.18 91.02 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 112.388 0.514 . . . . 10.0 112.388 172.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.5 m -61.27 -45.85 92.79 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 118.793 0.724 . . . . 10.0 111.557 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 52.2 mt -66.1 -42.92 92.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 118.414 0.552 . . . . 10.0 110.924 175.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.4 t -57.94 -51.04 71.26 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.152 0.433 . . . . 10.0 111.712 176.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -58.93 -38.53 79.2 Favored 'General case' 0 C--N 1.344 0.33 0 CA-C-O 117.359 -1.305 . . . . 10.0 114.515 171.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -65.12 -46.08 82.48 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 120.157 1.344 . . . . 10.0 110.369 177.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.9 mt -63.71 -49.08 83.73 Favored 'Isoleucine or valine' 0 C--N 1.343 0.309 0 CA-C-N 118.594 0.634 . . . . 10.0 109.67 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.8 mp -65.18 -9.08 20.4 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 114.177 1.177 . . . . 10.0 114.177 177.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.6 mtmm -114.7 8.17 16.12 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.846 1.258 . . . . 10.0 113.333 171.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.566 ' HD3' HD11 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -119.95 -29.72 4.88 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 117.893 -1.051 . . . . 10.0 113.443 171.295 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.3 t -133.29 151.49 33.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 126.61 1.964 . . . . 10.0 109.237 173.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.9 t -77.91 136.17 37.98 Favored 'General case' 0 C--N 1.342 0.266 0 O-C-N 120.722 -1.236 . . . . 10.0 111.872 -178.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.69 -24.82 3.64 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.104 1.362 . . . . 10.0 113.294 169.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.18 -21.75 64.09 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.234 1.198 . . . . 10.0 114.234 171.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -106.67 -23.32 12.47 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.249 1.82 . . . . 10.0 111.919 -174.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 30.2 mm -70.94 108.54 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 C-N-CA 127.414 2.286 . . . . 10.0 108.325 178.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.7 t -73.16 -49.76 36.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 N-CA-C 108.636 -0.876 . . . . 10.0 108.636 169.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -163.1 175.45 11.05 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.361 0.664 . . . . 10.0 112.739 169.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.3 pt -138.68 139.21 41.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 C-N-CA 125.634 1.574 . . . . 10.0 109.902 171.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -124.53 116.71 22.91 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 124.106 0.962 . . . . 10.0 109.514 177.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 43.2 mt -131.13 127.16 60.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.135 0 C-N-CA 124.562 1.145 . . . . 10.0 108.618 -173.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.9 m -119.7 117.88 29.42 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 124.612 1.165 . . . . 10.0 108.666 175.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 65.5 t -99.4 129.54 49.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 N-CA-C 105.843 -1.91 . . . . 10.0 105.843 167.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 75.4 mt -117.51 139.04 51.46 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 107.958 -1.127 . . . . 10.0 107.958 172.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.4 p -139.82 132.07 34.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 124.43 1.092 . . . . 10.0 109.005 178.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -147.51 159.9 43.22 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.726 1.211 . . . . 10.0 109.459 -174.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -140.27 105.92 5.12 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 107.353 -1.351 . . . . 10.0 107.353 177.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.0 t -131.15 80.58 1.95 Allowed 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.791 1.237 . . . . 10.0 107.914 -177.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.5 t70 62.6 -41.68 0.17 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 127.805 2.442 . . . . 10.0 113.084 -166.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -105.16 153.52 21.42 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 127.611 2.365 . . . . 10.0 109.895 169.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 56.2 tp -85.23 129.09 34.88 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.86 1.264 . . . . 10.0 109.177 175.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -128.68 136.28 50.41 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.194 0.998 . . . . 10.0 110.314 -173.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 76.2 t -136.14 143.3 36.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 C-N-CA 124.846 1.258 . . . . 10.0 109.123 173.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -129.94 144.25 51.22 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 106.915 -1.513 . . . . 10.0 106.915 166.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 19.7 mt -130.65 120.49 48.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 N-CA-C 105.924 -1.88 . . . . 10.0 105.924 168.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.1 m -128.58 121.94 29.87 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 107.561 -1.274 . . . . 10.0 107.561 -175.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.28 146.77 52.44 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.211 1.004 . . . . 10.0 111.846 -172.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -139.37 147.58 41.69 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.647 1.179 . . . . 10.0 110.413 172.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 29.1 tp -124.93 128.21 48.27 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 125.81 1.644 . . . . 10.0 109.985 -168.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -114.18 107.96 16.32 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 121.95 0.881 . . . . 10.0 109.955 176.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.4 mt -96.45 152.07 18.96 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 125.81 1.644 . . . . 10.0 110.938 173.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.411 ' C ' ' H ' ' A' ' 63' ' ' LEU . 42.1 t0 -61.65 147.23 46.55 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 115.955 -0.566 . . . . 10.0 111.465 169.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -66.66 20.3 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 127.56 2.344 . . . . 10.0 113.462 -178.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.411 ' H ' ' C ' ' A' ' 61' ' ' ASP . 96.2 mt -136.8 5.09 2.84 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 128.266 2.626 . . . . 10.0 112.293 -173.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.31 143.36 50.46 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.893 1.277 . . . . 10.0 111.382 175.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -133.03 94.2 3.32 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 123.613 1.673 . . . . 10.0 109.134 -174.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.75 -176.45 6.09 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 113.261 -1.791 . . . . 10.0 112.414 172.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -85.31 141.76 37.33 Favored Pre-proline 0 CA--C 1.547 0.846 0 O-C-N 121.119 -0.988 . . . . 10.0 111.844 -168.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -73.99 58.56 4.18 Favored 'Trans proline' 0 CA--C 1.544 0.977 1 C-N-CA 125.969 4.446 . . . . 10.0 113.199 -171.287 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 169.64 -6.72 0.04 OUTLIER Glycine 0 CA--C 1.537 1.418 0 C-N-CA 126.717 2.103 . . . . 10.0 114.494 -176.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.566 HD11 ' HD3' ' A' ' 29' ' ' ARG . 3.1 tt -56.11 -29.43 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-N 119.308 1.554 . . . . 10.0 115.178 -171.219 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.7 t -71.85 -52.39 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.119 0.967 . . . . 10.0 109.943 173.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -58.42 -38.95 78.47 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.62 1.168 . . . . 10.0 111.405 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -63.88 -35.43 80.62 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 122.138 -0.351 . . . . 10.0 111.764 172.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.2 -42.84 83.47 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.878 0.763 . . . . 10.0 111.078 176.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.456 HG12 ' CE2' ' A' ' 79' ' ' TYR . 1.6 t -69.46 -41.97 80.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-O 119.1 -0.476 . . . . 10.0 111.293 178.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -58.68 -41.2 85.66 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.923 1.289 . . . . 10.0 111.216 172.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.99 -40.57 98.17 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.914 -0.491 . . . . 10.0 111.623 172.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.27 -40.55 96.19 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 119.084 0.857 . . . . 10.0 112.984 172.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.456 ' CE2' HG12 ' A' ' 75' ' ' VAL . 43.9 m-85 -63.99 -43.15 96.56 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.003 0.819 . . . . 10.0 112.087 175.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 75.9 mtt-85 -68.22 -36.55 79.68 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.278 0.631 . . . . 10.0 111.742 174.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.3 t -62.87 -48.21 79.98 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 118.622 -0.704 . . . . 10.0 109.867 176.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 27.3 tp -63.54 -43.43 97.12 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 118.906 0.776 . . . . 10.0 112.791 174.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -41.72 91.64 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 119.006 0.821 . . . . 10.0 112.053 178.161 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.4 m -83.04 -29.4 28.89 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 122.033 -0.417 . . . . 10.0 111.628 -178.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -61.68 -42.29 98.72 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.368 1.067 . . . . 10.0 110.643 168.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.8 tp . . . . . 0 C--N 1.343 0.301 0 CA-C-N 118.677 0.671 . . . . 10.0 112.037 -179.914 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 90.6 mt . . . . . 0 CA--C 1.53 0.211 0 CA-C-O 121.056 0.455 . . . . 10.0 110.13 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.9 t -137.87 -170.75 2.85 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.432 1.493 . . . . 10.0 110.231 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.3 -40.8 3.7 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.147 1.779 . . . . 10.0 113.586 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.05 -52.42 44.86 Favored Glycine 0 CA--C 1.535 1.32 0 CA-C-N 119.128 0.876 . . . . 10.0 113.835 175.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.61 -40.57 97.25 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 118.766 1.283 . . . . 10.0 111.149 178.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.2 mp -64.96 -37.17 86.75 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.668 1.187 . . . . 10.0 112.986 175.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -69.22 -45.01 70.87 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 120.331 1.423 . . . . 10.0 110.784 168.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -54.81 -40.64 69.73 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 120.242 1.383 . . . . 10.0 111.314 178.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 88.6 mt -70.14 -49.14 57.56 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 123.241 0.616 . . . . 10.0 112.079 171.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.4 m -65.86 -45.44 82.11 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.204 -0.935 . . . . 10.0 111.768 -173.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.2 m -66.59 -35.17 79.54 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.907 1.283 . . . . 10.0 111.529 174.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -60.92 -42.47 98.19 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.976 1.262 . . . . 10.0 112.023 169.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.3 mt -66.58 -45.06 80.49 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 122.972 0.509 . . . . 10.0 111.43 176.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.0 t-160 -58.03 -48.6 79.58 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.325 0.511 . . . . 10.0 111.548 174.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.13 -40.47 93.94 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-O 118.699 -0.667 . . . . 10.0 111.007 175.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.3 m -61.01 -44.4 97.47 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.565 0.746 . . . . 10.0 111.044 -179.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.436 HG23 ' HB1' ' A' ' 74' ' ' ALA . 59.8 mt -67.91 -44.78 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 CA-C-N 118.395 0.543 . . . . 10.0 110.889 175.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.2 t -58.09 -47.77 82.2 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 118.32 0.509 . . . . 10.0 111.379 178.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -63.58 -38.85 92.71 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.529 1.132 . . . . 10.0 111.614 175.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.408 ' HA ' ' HG2' ' A' ' 28' ' ' LYS . 17.9 t80 -65.06 -45.67 84.38 Favored 'General case' 0 C--N 1.345 0.385 0 CA-C-N 119.247 0.93 . . . . 10.0 111.152 177.352 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.4 mt -59.94 -53.09 53.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 108.718 -0.845 . . . . 10.0 108.718 176.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.2 mp -61.49 -31.84 71.83 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.431 0.901 . . . . 10.0 113.431 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.408 ' HG2' ' HA ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -80.88 -0.99 41.52 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 119.721 1.146 . . . . 10.0 113.749 173.413 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -123.37 -29.61 3.79 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 114.039 1.125 . . . . 10.0 114.039 -177.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.0 p -149.66 145.27 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 126.247 1.819 . . . . 10.0 109.898 171.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.8 t -74.3 136.79 42.61 Favored 'General case' 0 N--CA 1.465 0.306 0 O-C-N 120.955 -1.091 . . . . 10.0 113.872 -169.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.85 -24.66 3.71 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.958 1.303 . . . . 10.0 113.076 168.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -81.65 -7.83 59.64 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.553 1.316 . . . . 10.0 114.553 173.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -99.61 -11.46 20.94 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.806 1.642 . . . . 10.0 110.873 170.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.3 mt -95.22 128.23 46.57 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 127.846 2.458 . . . . 10.0 110.071 -177.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.5 t -73.14 -52.8 20.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 C-N-CA 123.801 0.841 . . . . 10.0 108.799 167.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -166.08 177.16 7.17 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.098 0.959 . . . . 10.0 111.991 171.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.3 pt -130.47 141.77 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 125.2 1.4 . . . . 10.0 110.585 171.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -114.27 119.22 36.27 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 108.379 -0.971 . . . . 10.0 108.379 169.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 43.5 mt -131.16 121.95 50.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 N-CA-C 107.89 -1.152 . . . . 10.0 107.89 174.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.1 m -119.61 118.09 30.06 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 107.666 -1.235 . . . . 10.0 107.666 177.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -115.46 117.9 57.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 125.911 1.684 . . . . 10.0 107.319 -177.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -117.64 138.84 51.7 Favored 'General case' 0 CA--C 1.523 -0.086 0 N-CA-C 108.581 -0.896 . . . . 10.0 108.581 -178.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.1 p -139.76 141.68 34.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 123.692 0.797 . . . . 10.0 109.228 172.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -143.56 153.9 43.04 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.357 1.463 . . . . 10.0 109.836 -169.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -131.35 99.73 4.94 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.864 0.866 . . . . 10.0 108.788 171.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.8 m -131.2 81.52 1.99 Allowed 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 107.57 -1.27 . . . . 10.0 107.57 177.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.9 t70 64.73 -45.43 0.32 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 128.516 2.727 . . . . 10.0 112.692 -167.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -98.36 146.84 25.29 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 127.463 2.305 . . . . 10.0 110.145 168.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.2 tt -85.39 120.13 26.52 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 106.902 -1.518 . . . . 10.0 106.902 167.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -134.12 148.94 51.05 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.376 0.67 . . . . 10.0 111.085 -175.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.1 p -136.29 148.26 27.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 125.631 1.572 . . . . 10.0 110.586 -173.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -130.85 141.62 50.33 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 125.226 1.41 . . . . 10.0 107.857 167.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.402 HG21 HD11 ' A' ' 22' ' ' ILE . 32.1 mt -130.32 109.7 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 N-CA-C 106.228 -1.768 . . . . 10.0 106.228 173.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.2 m -120.92 121.76 38.74 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 108.066 -1.087 . . . . 10.0 108.066 -178.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.45 155.13 47.88 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.937 0.895 . . . . 10.0 112.931 -175.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.41 146.39 32.47 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.32 1.848 . . . . 10.0 110.376 171.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 41.8 tp -128.05 104.3 7.7 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 126.038 1.735 . . . . 10.0 109.931 -173.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -93.03 102.74 15.08 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 108.793 -0.818 . . . . 10.0 108.793 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 42.6 mt -85.59 151.99 23.48 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.62 1.168 . . . . 10.0 110.895 171.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -58.9 147.06 35.39 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 112.747 0.647 . . . . 10.0 112.747 175.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -64.89 -9.83 24.03 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 114.561 1.319 . . . . 10.0 114.561 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.15 8.4 43.89 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.384 1.473 . . . . 10.0 112.844 171.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 27.5 t -112.95 151.22 30.8 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.818 1.247 . . . . 10.0 112.977 -174.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -146.03 94.91 2.54 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.503 1.921 . . . . 10.0 109.119 -172.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.8 -171.91 1.99 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.536 1.534 . . . . 10.0 112.076 175.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -85.37 144.11 40.12 Favored Pre-proline 0 CA--C 1.548 0.868 0 O-C-N 120.978 -1.077 . . . . 10.0 112.109 -168.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -74.25 45.76 1.25 Allowed 'Trans proline' 0 CA--C 1.548 1.206 1 C-N-CA 125.994 4.463 . . . . 10.0 114.135 -172.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.17 8.18 0.02 OUTLIER Glycine 0 CA--C 1.539 1.533 0 C-N-CA 126.932 2.206 . . . . 10.0 114.435 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.6 tt -59.3 -32.93 49.48 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 CA-C-N 118.945 1.372 . . . . 10.0 113.921 -170.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.5 p -86.11 -34.36 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 124.911 1.284 . . . . 10.0 113.055 172.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -58.74 -40.14 82.96 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 119.425 1.012 . . . . 10.0 110.572 174.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -63.78 -32.92 74.58 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 118.593 -0.717 . . . . 10.0 112.274 171.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.436 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -66.85 -44.49 80.87 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.979 1.263 . . . . 10.0 111.433 175.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.458 HG12 ' CE2' ' A' ' 79' ' ' TYR . 1.4 t -66.85 -45.06 88.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 CA-C-N 117.781 0.264 . . . . 10.0 110.436 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -58.64 -40.61 83.89 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.278 1.431 . . . . 10.0 112.031 173.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.94 -41.99 99.66 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.669 0.668 . . . . 10.0 111.333 174.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.27 -43.08 95.94 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 118.463 -0.779 . . . . 10.0 112.491 172.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.458 ' CE2' HG12 ' A' ' 75' ' ' VAL . 42.0 m-85 -66.53 -43.76 84.3 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 119.672 1.123 . . . . 10.0 112.348 179.162 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 44.7 mtm180 -72.61 -30.3 64.24 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.478 -0.764 . . . . 10.0 112.666 176.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 46.7 t -63.06 -48.76 77.3 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 118.143 -0.932 . . . . 10.0 109.867 169.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 25.3 tp -58.06 -43.81 87.15 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.789 0.836 . . . . 10.0 112.469 176.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -60.94 -41.49 96.34 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 119.194 -0.431 . . . . 10.0 111.33 175.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.1 p -68.04 -31.73 71.59 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.969 0.729 . . . . 10.0 112.969 175.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -76.08 -42.13 48.32 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.387 1.075 . . . . 10.0 111.516 -176.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 CA--C 1.533 0.318 0 CA-C-O 118.279 -0.867 . . . . 10.0 111.407 171.893 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 77.1 mt . . . . . 0 CA--C 1.54 0.559 0 N-CA-C 110.224 -0.288 . . . . 10.0 110.224 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.0 t -140.2 -169.78 2.83 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.771 0.828 . . . . 10.0 110.457 175.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -41.06 -46.56 2.95 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 126.658 1.983 . . . . 10.0 113.659 -175.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.17 -49.75 50.73 Favored Glycine 0 CA--C 1.528 0.892 0 CA-C-O 121.846 0.692 . . . . 10.0 113.208 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -67.57 -35.42 78.98 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.796 1.639 . . . . 10.0 111.143 -177.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 mp -70.02 -40.42 75.22 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.314 1.446 . . . . 10.0 113.165 169.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -63.14 -39.68 95.38 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 119.591 1.087 . . . . 10.0 111.786 173.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -58.54 -44.06 89.49 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.228 0.922 . . . . 10.0 112.005 172.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.7 mt -65.85 -46.26 89.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 O-C-N 121.524 -0.735 . . . . 10.0 111.276 174.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.8 t -58.88 -42.78 90.31 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.556 0.742 . . . . 10.0 111.927 176.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.5 t -64.51 -43.91 92.59 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 125.234 1.413 . . . . 10.0 111.77 174.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.38 -42.59 92.03 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.949 0.795 . . . . 10.0 111.599 174.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.6 mt -65.76 -50.51 64.49 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.542 0.737 . . . . 10.0 111.914 176.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -57.64 -49.92 74.88 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 118.864 0.756 . . . . 10.0 111.597 177.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -61.82 -37.45 84.48 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 118.741 -0.647 . . . . 10.0 111.336 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.3 m -61.09 -46.41 90.75 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 118.92 0.782 . . . . 10.0 111.339 176.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.523 HG23 ' HB1' ' A' ' 74' ' ' ALA . 43.4 mt -63.71 -49.94 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-N 118.765 0.711 . . . . 10.0 110.742 174.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.2 m -61.81 -40.94 97.03 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.287 0.635 . . . . 10.0 112.378 -176.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -66.13 -38.66 88.7 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.739 0.7 . . . . 10.0 111.931 171.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -66.21 -38.26 87.53 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 119.415 1.007 . . . . 10.0 112.026 176.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.3 mt -61.48 -53.12 52.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 O-C-N 121.177 -0.952 . . . . 10.0 109.276 171.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -63.34 -32.89 74.43 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.655 0.983 . . . . 10.0 113.655 -178.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.67 -9.05 58.26 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 118.149 -0.929 . . . . 10.0 113.411 174.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 -110.33 -34.82 6.24 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.459 1.652 . . . . 10.0 115.459 171.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.0 t -141.5 134.16 29.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.532 1.533 . . . . 10.0 109.525 -176.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.1 t -71.79 136.65 47.17 Favored 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 123.738 0.815 . . . . 10.0 112.004 178.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.81 -24.69 3.68 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.409 1.084 . . . . 10.0 113.217 169.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -24.26 67.52 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 120.604 1.547 . . . . 10.0 113.904 172.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -87.55 -14.57 39.87 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.892 1.677 . . . . 10.0 111.859 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 86.5 mt -109.29 128.22 65.41 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 127.18 2.192 . . . . 10.0 109.314 -169.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.4 t -69.21 -50.35 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 O-C-N 121.682 -0.636 . . . . 10.0 110.088 169.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -163.71 176.19 9.83 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.295 0.85 . . . . 10.0 113.295 172.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.8 pt -133.09 143.13 40.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 C-N-CA 125.58 1.552 . . . . 10.0 110.443 169.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -123.67 126.85 47.32 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 107.664 -1.236 . . . . 10.0 107.664 169.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 51.9 mt -131.32 121.61 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 N-CA-C 107.709 -1.219 . . . . 10.0 107.709 -179.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.5 m -119.69 117.86 29.39 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 124.685 1.194 . . . . 10.0 108.026 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.3 t -115.53 127.21 73.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 N-CA-C 107.33 -1.359 . . . . 10.0 107.33 175.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.1 mp -117.66 139.06 51.53 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 124.978 1.311 . . . . 10.0 108.046 -175.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.3 p -139.68 137.34 39.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 C-N-CA 123.921 0.888 . . . . 10.0 109.74 176.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -148.46 156.91 43.08 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.295 1.438 . . . . 10.0 109.329 -176.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -138.12 104.9 5.35 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 107.479 -1.304 . . . . 10.0 107.479 174.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.7 t -131.21 80.86 1.96 Allowed 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.413 1.485 . . . . 10.0 108.19 -173.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.7 t70 64.64 -33.05 0.14 Allowed 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 127.63 2.372 . . . . 10.0 113.47 -167.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -123.78 158.66 31.24 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 128.355 2.662 . . . . 10.0 109.21 172.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 49.9 tp -85.18 129.16 34.86 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.457 1.103 . . . . 10.0 109.154 177.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -124.15 136.87 54.51 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 124.589 1.156 . . . . 10.0 109.889 178.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.0 p -136.31 141.28 41.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 C-N-CA 125.354 1.462 . . . . 10.0 108.512 173.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -140.92 146.33 37.27 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 123.979 0.912 . . . . 10.0 111.243 176.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 36.6 mt -132.43 120.03 41.22 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 C-N-CA 125.401 1.48 . . . . 10.0 109.456 -170.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.8 m -122.65 127.17 48.98 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.603 1.161 . . . . 10.0 108.725 169.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.32 138.28 49.15 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.313 0.645 . . . . 10.0 110.756 175.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -127.39 137.32 52.72 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 125.672 1.589 . . . . 10.0 109.782 -175.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -116.09 121.01 40.92 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 125.699 1.599 . . . . 10.0 107.448 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -113.52 102.68 10.53 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 107.394 -1.335 . . . . 10.0 107.394 173.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.5 mt -85.05 152.04 23.71 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 125.383 1.473 . . . . 10.0 111.242 -177.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -61.42 147.25 45.68 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.429 168.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -66.67 9.87 0.16 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.94 1.296 . . . . 10.0 114.234 -178.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.1 tp -127.83 6.88 6.12 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 128.287 2.635 . . . . 10.0 111.876 178.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.8 m -112.73 145.13 41.07 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.351 1.46 . . . . 10.0 112.046 -178.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -144.57 94.46 2.56 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.157 1.383 . . . . 10.0 110.636 -177.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.71 -168.29 2.19 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 125.881 1.672 . . . . 10.0 112.684 174.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -85.43 145.59 42.66 Favored Pre-proline 0 CA--C 1.546 0.809 0 O-C-N 121.092 -1.005 . . . . 10.0 110.269 -176.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -72.67 49.42 1.49 Allowed 'Trans proline' 0 CA--C 1.548 1.189 1 C-N-CA 125.82 4.347 . . . . 10.0 112.93 178.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.04 5.56 0.02 OUTLIER Glycine 0 CA--C 1.54 1.636 0 C-N-CA 127.605 2.526 . . . . 10.0 114.741 -175.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.3 tp -52.07 -39.94 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-N 119.881 1.841 . . . . 10.0 113.342 -174.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.5 p -86.29 -29.75 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 C-N-CA 125.434 1.494 . . . . 10.0 113.796 177.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -60.2 -44.5 95.07 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.112 0.565 . . . . 10.0 109.548 175.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -63.97 -38.1 89.84 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 118.363 -0.827 . . . . 10.0 112.459 171.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.523 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -64.26 -43.4 94.96 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 120.37 1.441 . . . . 10.0 111.769 178.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.3 t -68.46 -46.31 80.63 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 125.157 1.383 . . . . 10.0 111.168 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -58.64 -42.13 87.59 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.222 1.409 . . . . 10.0 112.169 170.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.97 -43.05 99.85 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.643 -0.661 . . . . 10.0 110.995 175.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.73 -42.69 99.3 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 118.437 -0.792 . . . . 10.0 112.395 172.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -66.31 -43.34 86.53 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.685 1.129 . . . . 10.0 112.84 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 45.4 mtm180 -72.84 -30.63 64.17 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 118.863 0.756 . . . . 10.0 112.399 177.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.0 t -65.42 -40.82 93.8 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 118.658 -0.687 . . . . 10.0 110.586 168.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 25.8 tp -63.64 -44.29 94.29 Favored 'General case' 0 C--N 1.342 0.265 0 CA-C-N 119.098 0.863 . . . . 10.0 112.704 174.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -59.46 -41.28 89.34 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.003 0.82 . . . . 10.0 111.102 174.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.6 m -67.83 -38.4 83.15 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.947 0.899 . . . . 10.0 112.191 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -66.26 -42.31 88.68 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.233 1.413 . . . . 10.0 111.067 173.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.5 tp . . . . . 0 N--CA 1.466 0.336 0 O-C-N 121.617 -0.677 . . . . 10.0 111.958 -179.422 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.1 mt . . . . . 0 CA--C 1.532 0.262 0 CA-C-O 122.321 1.058 . . . . 10.0 108.579 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.0 t -148.82 -175.75 5.07 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 127.756 2.422 . . . . 10.0 107.719 -178.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -38.15 -48.61 1.27 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 126.342 1.857 . . . . 10.0 113.037 -174.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.63 -61.12 7.59 Favored Glycine 0 CA--C 1.535 1.334 0 CA-C-N 118.792 0.724 . . . . 10.0 114.442 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -70.13 -33.16 71.47 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.952 -0.734 . . . . 10.0 111.553 -177.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.8 mt -69.97 -42.33 73.27 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.595 0.758 . . . . 10.0 111.843 176.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -63.46 -45.3 91.49 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 119.237 0.926 . . . . 10.0 110.784 173.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -57.74 -43.62 85.49 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.719 0.808 . . . . 10.0 112.228 174.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.4 mt -64.97 -41.5 92.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 O-C-N 121.573 -0.704 . . . . 10.0 110.761 173.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.6 p -58.8 -39.9 82.49 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.645 1.111 . . . . 10.0 112.047 174.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.6 t -66.51 -43.88 84.07 Favored 'General case' 0 C--N 1.341 0.216 0 C-N-CA 124.431 1.092 . . . . 10.0 111.102 175.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -59.45 -42.55 92.22 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.513 0.597 . . . . 10.0 112.011 174.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.8 mt -64.43 -49.75 70.25 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.472 0.709 . . . . 10.0 111.972 175.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -59.74 -47.65 84.81 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 118.187 0.448 . . . . 10.0 111.56 178.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -62.35 -36.77 83.27 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 118.642 -0.694 . . . . 10.0 111.977 175.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.0 m -61.04 -44.98 96.59 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.809 1.186 . . . . 10.0 111.465 178.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 52.0 mt -68.27 -44.33 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 O-C-N 122.117 -0.364 . . . . 10.0 110.832 175.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.5 t -57.31 -50.91 71.44 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 119.174 -0.441 . . . . 10.0 111.204 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.28 -38.78 77.67 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 114.316 1.228 . . . . 10.0 114.316 173.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -64.47 -45.75 86.03 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.543 1.065 . . . . 10.0 110.591 177.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.3 mt -66.2 -53.17 39.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-O 118.7 -0.667 . . . . 10.0 109.363 178.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.01 -16.12 60.91 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.237 1.199 . . . . 10.0 114.237 -177.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -109.44 7.06 24.75 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.583 0.957 . . . . 10.0 113.583 174.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -124.23 -20.48 5.25 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.763 1.394 . . . . 10.0 114.763 169.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.6 p -141.93 140.25 30.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 125.963 1.705 . . . . 10.0 110.163 171.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.6 t -76.45 136.58 39.41 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 121.298 -0.876 . . . . 10.0 112.107 -175.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.83 -24.84 3.82 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.467 1.107 . . . . 10.0 113.586 169.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -72.98 -11.19 60.48 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.194 1.183 . . . . 10.0 114.194 173.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -97.08 -15.34 21.04 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.732 1.613 . . . . 10.0 111.752 173.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.4 mm -101.93 128.25 54.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 128.04 2.536 . . . . 10.0 110.393 -168.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.9 t -77.37 -51.23 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 N-CA-C 109.11 -0.7 . . . . 10.0 109.11 167.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -164.6 176.99 8.41 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.67 0.788 . . . . 10.0 112.999 171.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 15.8 pt -134.6 141.76 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 125.404 1.482 . . . . 10.0 110.261 169.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -127.83 108.12 10.45 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.883 0.873 . . . . 10.0 109.13 -176.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.8 mt -122.0 124.29 70.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 N-CA-C 108.98 -0.748 . . . . 10.0 108.98 -171.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.3 m -119.65 117.82 29.31 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 125.541 1.536 . . . . 10.0 108.168 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.2 m -115.55 119.98 63.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 126.573 1.949 . . . . 10.0 107.691 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 88.4 mt -117.72 137.01 52.98 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 124.448 1.099 . . . . 10.0 108.589 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.6 p -139.79 134.27 37.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 C-N-CA 123.461 0.704 . . . . 10.0 110.036 176.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -153.22 159.97 42.72 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.844 1.258 . . . . 10.0 110.132 -171.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -142.87 102.14 3.97 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.447 -0.783 . . . . 10.0 109.716 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 48.5 m -131.78 97.69 4.26 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 120.964 -1.085 . . . . 10.0 109.771 171.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 57.97 -24.75 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 127.842 2.457 . . . . 10.0 115.911 -169.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -133.41 159.69 39.58 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 127.453 2.301 . . . . 10.0 110.026 168.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.6 tt -85.38 128.42 34.71 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.672 1.189 . . . . 10.0 108.489 179.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -117.36 126.77 53.23 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 124.6 1.16 . . . . 10.0 108.743 175.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.3 p -136.16 123.48 33.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 106.5 -1.667 . . . . 10.0 106.5 169.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -139.77 132.6 29.17 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.773 -0.825 . . . . 10.0 108.773 -167.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 21.3 mt -132.1 127.08 57.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 C-N-CA 123.672 0.789 . . . . 10.0 109.45 -168.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.4 m -127.31 131.11 50.52 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 125.242 1.417 . . . . 10.0 108.508 174.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.19 138.38 49.38 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.46 0.704 . . . . 10.0 110.144 177.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.32 145.14 48.19 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 126.076 1.75 . . . . 10.0 109.945 177.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 64.3 tp -128.16 109.14 11.23 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 114.551 -1.204 . . . . 10.0 109.936 -169.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -108.0 102.7 11.85 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 122.511 1.148 . . . . 10.0 108.707 178.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 27.1 mt -88.5 152.05 22.13 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 126.986 2.114 . . . . 10.0 110.475 175.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -60.23 147.29 40.57 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 120.856 -0.338 . . . . 10.0 111.432 169.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -68.25 38.76 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 128.555 2.742 . . . . 10.0 112.99 -178.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 50.9 tp -160.56 -27.88 0.06 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 128.52 2.728 . . . . 10.0 112.099 -169.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 25.9 m -74.28 153.75 39.24 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.29 1.436 . . . . 10.0 112.965 -178.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -141.09 94.41 2.7 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 123.034 1.397 . . . . 10.0 110.344 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.15 -167.97 1.67 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.324 1.85 . . . . 10.0 112.204 176.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -85.41 144.44 40.52 Favored Pre-proline 0 CA--C 1.544 0.726 0 O-C-N 120.948 -1.095 . . . . 10.0 110.09 -175.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -72.68 42.17 0.57 Allowed 'Trans proline' 0 CA--C 1.549 1.237 1 C-N-CA 125.555 4.17 . . . . 10.0 113.619 -179.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.09 12.68 0.02 OUTLIER Glycine 0 CA--C 1.539 1.54 0 C-N-CA 126.759 2.123 . . . . 10.0 114.234 177.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 9.3 tt -60.16 -33.88 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-N 119.078 1.439 . . . . 10.0 114.198 -168.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 75' ' ' VAL . 6.3 p -86.14 -39.0 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 C-N-CA 124.281 1.032 . . . . 10.0 112.046 174.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -55.27 -46.17 76.14 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.753 1.221 . . . . 10.0 110.846 175.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -63.97 -33.33 75.49 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.039 0.936 . . . . 10.0 112.517 171.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.97 -42.52 89.78 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.883 1.219 . . . . 10.0 111.715 173.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 71' ' ' VAL . 1.6 t -68.29 -43.82 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 118.243 0.474 . . . . 10.0 110.576 178.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -58.74 -41.62 86.9 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.651 1.18 . . . . 10.0 111.55 172.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.96 -39.61 95.2 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.619 -0.676 . . . . 10.0 111.631 173.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.24 -44.03 93.07 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.191 0.905 . . . . 10.0 112.391 171.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.429 ' CE2' HG12 ' A' ' 75' ' ' VAL . 39.4 m-85 -64.03 -43.46 95.5 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 119.354 0.979 . . . . 10.0 112.458 178.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 45.6 mtm105 -72.39 -30.22 64.47 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.519 0.6 . . . . 10.0 112.607 175.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.7 m -64.47 -43.4 94.3 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 118.694 -0.669 . . . . 10.0 110.616 169.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.37 -45.58 87.11 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.113 0.965 . . . . 10.0 112.021 177.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -58.88 -41.26 86.68 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.945 0.898 . . . . 10.0 111.103 175.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.7 m -69.67 -35.47 75.18 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.921 0.888 . . . . 10.0 112.239 174.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -68.54 -42.53 78.31 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 117.924 -1.036 . . . . 10.0 111.525 -176.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 N--CA 1.472 0.652 0 CA-C-N 120.604 1.547 . . . . 10.0 111.614 179.429 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 51.9 mt . . . . . 0 CA--C 1.534 0.336 0 N-CA-C 108.505 -0.924 . . . . 10.0 108.505 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.4 t -147.31 -171.56 3.82 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 124.607 1.163 . . . . 10.0 111.946 -167.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -62.72 44.32 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 130.371 3.468 . . . . 10.0 113.19 172.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.4 -58.48 0.02 OUTLIER Glycine 0 CA--C 1.528 0.848 0 C-N-CA 126.754 2.121 . . . . 10.0 110.154 171.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -61.57 -42.82 99.41 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.73 0.812 . . . . 10.0 112.456 176.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 98.0 mt -70.27 -36.65 74.55 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.459 -0.776 . . . . 10.0 112.364 175.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -64.33 -39.53 94.09 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.328 1.051 . . . . 10.0 111.867 174.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -60.71 -42.03 96.45 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.585 1.154 . . . . 10.0 111.591 170.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.5 mt -64.73 -43.49 96.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 CA-C-N 118.745 0.702 . . . . 10.0 110.229 172.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.5 p -58.85 -37.6 76.86 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.435 1.016 . . . . 10.0 111.734 176.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.4 m -69.59 -43.85 71.96 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.864 1.266 . . . . 10.0 110.699 177.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -60.88 -41.34 95.78 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.256 1.023 . . . . 10.0 112.144 173.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.4 mt -64.01 -49.67 71.53 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.991 0.917 . . . . 10.0 111.866 174.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -55.77 -50.0 71.62 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-N 119.363 0.983 . . . . 10.0 111.417 174.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -63.15 -37.94 89.19 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 119.497 -0.287 . . . . 10.0 110.439 -176.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 80.5 m -61.39 -46.98 87.92 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.909 0.883 . . . . 10.0 111.916 175.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.434 HG23 ' HB1' ' A' ' 74' ' ' ALA . 77.5 mt -67.82 -47.72 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 CA-C-N 118.509 0.595 . . . . 10.0 110.688 178.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.8 m -59.63 -45.51 91.74 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.248 0.619 . . . . 10.0 111.243 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.8 -38.81 89.52 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 114.296 1.221 . . . . 10.0 114.296 169.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -62.02 -45.54 93.14 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 120.61 1.55 . . . . 10.0 110.829 177.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 91.4 mt -61.38 -52.94 55.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 C-N-CA 123.725 0.81 . . . . 10.0 109.591 175.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.1 mp -64.29 -14.24 54.68 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 114.304 1.224 . . . . 10.0 114.304 179.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -100.24 -1.42 36.45 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.874 1.27 . . . . 10.0 112.931 174.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -118.84 -15.86 9.35 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.348 1.24 . . . . 10.0 114.348 168.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.3 t -144.98 141.02 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 126.001 1.72 . . . . 10.0 108.757 -174.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.7 t -75.58 135.39 40.54 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.942 1.09 . . . . 10.0 113.942 -171.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.71 -24.7 3.57 Favored 'General case' 0 CA--C 1.55 0.95 0 O-C-N 120.484 -1.385 . . . . 10.0 113.358 167.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -75.67 -21.64 57.46 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.62 1.341 . . . . 10.0 114.62 173.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -110.41 -16.81 13.61 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 119.578 1.081 . . . . 10.0 112.638 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.1 mm -70.94 113.67 7.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 107.055 -1.461 . . . . 10.0 107.055 167.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.5 t -71.54 -49.99 42.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 N-CA-C 108.681 -0.859 . . . . 10.0 108.681 168.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -164.93 177.04 8.14 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.612 0.765 . . . . 10.0 112.2 171.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -134.82 140.07 46.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 C-N-CA 125.269 1.428 . . . . 10.0 109.479 168.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -120.35 110.35 16.44 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.122 -1.066 . . . . 10.0 108.122 -177.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 33.1 mt -128.17 122.02 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 123.753 0.821 . . . . 10.0 108.904 -171.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.6 m -115.58 117.71 31.07 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 125.626 1.57 . . . . 10.0 107.365 178.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -115.54 117.74 56.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 125.393 1.477 . . . . 10.0 107.466 178.01 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.94 139.07 51.68 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.719 1.208 . . . . 10.0 109.568 -177.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.1 p -139.82 140.8 35.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 123.034 0.534 . . . . 10.0 110.955 -178.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -150.5 160.03 44.07 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.047 0.939 . . . . 10.0 112.068 179.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -131.74 105.35 7.44 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 108.467 -0.938 . . . . 10.0 108.467 169.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.416 ' C ' ' H ' ' A' ' 49' ' ' GLU . 5.0 p -131.02 80.66 1.95 Allowed 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.357 1.463 . . . . 10.0 107.13 -173.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.5 t70 62.79 -27.1 0.07 Allowed 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 127.339 2.255 . . . . 10.0 113.966 -167.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.416 ' H ' ' C ' ' A' ' 47' ' ' THR . 37.7 tt0 -134.76 159.96 39.69 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 128.585 2.754 . . . . 10.0 109.574 172.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 35.0 tp -85.0 129.12 34.85 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.401 1.08 . . . . 10.0 109.135 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.1 tptp -132.19 146.2 51.86 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 122.43 1.11 . . . . 10.0 110.157 172.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.9 p -135.2 147.32 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 125.966 1.707 . . . . 10.0 107.807 174.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -123.11 142.92 50.36 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 125.241 1.416 . . . . 10.0 108.267 169.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.2 mt -131.05 108.81 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 N-CA-C 105.253 -2.129 . . . . 10.0 105.253 175.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.6 m -124.49 121.66 35.46 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 107.239 -1.393 . . . . 10.0 107.239 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.5 150.26 52.22 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.766 0.826 . . . . 10.0 112.32 -173.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -140.94 143.57 34.63 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.829 2.051 . . . . 10.0 109.331 -178.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 36.4 tp -128.29 121.87 30.3 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.471 1.508 . . . . 10.0 111.695 -169.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -114.1 107.12 15.22 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 121.447 0.641 . . . . 10.0 112.198 178.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -82.25 151.94 26.59 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 126.239 1.816 . . . . 10.0 111.546 168.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.411 ' C ' ' H ' ' A' ' 63' ' ' LEU . 25.8 t0 -61.48 147.18 46.13 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.299 0.64 . . . . 10.0 110.72 167.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -66.99 17.19 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.121 1.769 . . . . 10.0 113.877 -179.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.411 ' H ' ' C ' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -133.59 5.27 3.69 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 128.299 2.64 . . . . 10.0 112.456 -177.478 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.3 t -131.99 169.01 16.93 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.337 1.055 . . . . 10.0 112.132 172.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -153.72 94.77 1.81 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.224 1.81 . . . . 10.0 109.085 -172.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.9 -177.04 5.77 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.892 1.277 . . . . 10.0 112.538 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -85.43 134.44 40.3 Favored Pre-proline 0 CA--C 1.547 0.863 0 O-C-N 120.615 -1.303 . . . . 10.0 110.517 -173.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -74.53 63.34 5.54 Favored 'Trans proline' 0 CA--C 1.542 0.901 1 C-N-CA 125.399 4.066 . . . . 10.0 113.201 -169.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.09 -8.43 0.03 OUTLIER Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.74 1.162 . . . . 10.0 115.589 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 73.3 mt -56.07 -30.92 30.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 120.03 1.915 . . . . 10.0 113.697 -175.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 70.4 t -64.95 -54.68 26.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 CA-C-N 118.987 0.812 . . . . 10.0 111.187 172.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -58.12 -41.49 83.75 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.42 1.088 . . . . 10.0 110.761 177.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -63.88 -40.33 96.28 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 118.73 -0.652 . . . . 10.0 112.024 172.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.434 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -67.37 -41.62 84.78 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.649 1.113 . . . . 10.0 111.1 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.74 -46.99 87.52 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 C-N-CA 125.066 1.346 . . . . 10.0 110.875 176.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -58.69 -42.15 87.9 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.672 1.589 . . . . 10.0 112.302 171.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.16 -42.11 96.87 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.51 -0.744 . . . . 10.0 111.302 175.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.35 -39.6 94.99 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 118.312 -0.852 . . . . 10.0 112.403 172.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -63.88 -43.42 96.09 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 119.65 1.114 . . . . 10.0 112.011 173.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 74.5 mtt-85 -63.95 -44.06 93.92 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 120.753 -1.217 . . . . 10.0 110.562 176.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.8 t -68.25 -16.71 64.07 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 117.144 -1.408 . . . . 10.0 114.43 175.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 39.6 tp -87.28 -47.13 9.08 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 120.191 1.36 . . . . 10.0 111.807 169.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.31 -41.23 77.03 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 118.948 -0.549 . . . . 10.0 110.552 -175.036 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.8 m -69.39 -18.33 63.75 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.464 0.912 . . . . 10.0 113.464 172.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -80.99 -42.1 21.71 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.295 1.438 . . . . 10.0 110.526 174.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 N--CA 1.475 0.79 0 O-C-N 120.87 -1.144 . . . . 10.0 112.042 172.303 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 69.8 mt . . . . . 0 CA--C 1.536 0.44 0 N-CA-C 109.639 -0.504 . . . . 10.0 109.639 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.1 t -147.0 -173.57 4.27 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.801 1.24 . . . . 10.0 109.396 174.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -47.63 -39.89 18.16 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.326 1.45 . . . . 10.0 113.36 -172.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.89 -53.47 37.31 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 123.809 0.719 . . . . 10.0 113.28 176.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -65.28 -39.41 92.55 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.197 1.399 . . . . 10.0 111.758 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.21 -39.49 89.66 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.986 0.914 . . . . 10.0 113.254 171.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -65.17 -42.38 93.75 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 119.468 1.031 . . . . 10.0 111.43 171.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -62.29 -41.99 98.97 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.489 1.04 . . . . 10.0 111.964 175.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 52.5 mt -64.79 -43.61 96.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 O-C-N 121.153 -0.967 . . . . 10.0 110.463 174.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.3 m -63.62 -41.59 98.26 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.413 0.685 . . . . 10.0 111.223 178.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.0 t -62.1 -43.93 97.77 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.995 1.718 . . . . 10.0 111.734 172.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -61.17 -40.7 94.87 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.076 0.95 . . . . 10.0 112.137 175.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.8 mt -65.37 -51.29 61.42 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 123.125 0.57 . . . . 10.0 111.54 173.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.9 t-160 -57.9 -47.97 81.25 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.211 0.604 . . . . 10.0 111.595 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -63.89 -35.56 81.07 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 118.14 -0.933 . . . . 10.0 112.104 175.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.0 m -61.09 -47.13 87.73 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.915 1.234 . . . . 10.0 111.284 174.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.452 HG23 ' HB1' ' A' ' 74' ' ' ALA . 50.8 mt -65.14 -46.06 92.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-N 118.48 0.582 . . . . 10.0 110.229 177.292 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.9 t -57.62 -48.36 79.65 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.175 0.59 . . . . 10.0 111.626 178.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -63.16 -38.88 92.9 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.781 -0.575 . . . . 10.0 112.242 175.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -62.49 -45.65 92.03 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 119.338 0.972 . . . . 10.0 110.734 176.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.9 mt -61.48 -52.97 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-O 118.059 -0.972 . . . . 10.0 109.477 176.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.64 -28.52 68.62 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.692 1.133 . . . . 10.0 113.691 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -82.77 -5.7 59.05 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.046 1.128 . . . . 10.0 114.046 172.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -128.1 -29.95 2.48 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 115.325 1.602 . . . . 10.0 115.325 -174.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.6 t -137.25 144.42 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 126.597 1.959 . . . . 10.0 109.448 178.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 45.7 t -85.51 136.58 33.36 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 115.422 1.638 . . . . 10.0 115.422 -168.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.95 -24.46 3.67 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 120.617 -1.302 . . . . 10.0 113.262 167.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -77.46 -5.24 49.19 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.888 1.44 . . . . 10.0 114.888 175.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -128.88 -22.99 3.15 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.701 1.601 . . . . 10.0 112.554 177.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.1 mm -70.85 112.16 5.41 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 N-CA-C 106.763 -1.569 . . . . 10.0 106.763 168.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.6 t -68.91 -47.76 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 C-N-CA 124.03 0.932 . . . . 10.0 109.418 171.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -161.24 174.56 13.42 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 121.523 0.677 . . . . 10.0 112.599 169.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.7 pt -136.23 138.56 46.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 C-N-CA 125.004 1.321 . . . . 10.0 110.191 169.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -122.74 120.53 33.91 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 107.698 -1.223 . . . . 10.0 107.698 176.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 59.2 mt -131.16 117.52 37.27 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.145 0 N-CA-C 108.095 -1.076 . . . . 10.0 108.095 -174.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 89.9 m -119.7 117.65 28.84 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 125.023 1.329 . . . . 10.0 107.6 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 m -115.68 130.17 70.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 125.863 1.665 . . . . 10.0 108.691 -178.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -117.69 139.01 51.61 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 124.66 1.184 . . . . 10.0 108.796 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.0 p -139.72 133.21 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 C-N-CA 124.194 0.998 . . . . 10.0 109.148 174.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -150.3 159.34 44.52 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.105 1.362 . . . . 10.0 109.806 -170.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -145.5 100.36 3.43 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 108.315 -0.994 . . . . 10.0 108.315 176.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 99.6 m -131.14 80.97 1.96 Allowed 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.025 1.73 . . . . 10.0 107.392 -172.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.2 t70 66.14 -47.44 0.42 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 127.514 2.325 . . . . 10.0 112.06 -167.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -98.41 157.54 16.14 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.807 1.643 . . . . 10.0 110.702 167.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.1 tp -85.35 129.09 34.89 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 108.112 -1.07 . . . . 10.0 108.112 168.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -128.65 137.5 51.68 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.55 0.69 . . . . 10.0 110.655 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.1 p -136.11 138.93 46.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 C-N-CA 125.273 1.429 . . . . 10.0 107.8 170.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -140.13 146.13 38.44 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.993 0.917 . . . . 10.0 111.187 179.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.5 mt -132.3 122.17 47.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 C-N-CA 124.76 1.224 . . . . 10.0 109.717 -168.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.0 m -124.65 125.57 44.34 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 124.309 1.044 . . . . 10.0 109.124 171.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.25 145.17 51.79 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.908 0.883 . . . . 10.0 110.965 177.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -131.06 142.7 50.32 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 125.566 1.546 . . . . 10.0 110.102 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -120.28 107.11 12.57 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 126.096 1.758 . . . . 10.0 107.776 -176.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -100.03 112.84 25.13 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 107.847 -1.168 . . . . 10.0 107.847 175.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 23.6 mt -112.94 151.94 29.94 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 126.54 1.936 . . . . 10.0 110.553 -173.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.431 ' C ' ' H ' ' A' ' 63' ' ' LEU . 46.4 t0 -66.3 147.2 53.66 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.435 -0.348 . . . . 10.0 111.069 176.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -69.23 24.79 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.238 1.815 . . . . 10.0 113.302 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.431 ' H ' ' C ' ' A' ' 61' ' ' ASP . 96.6 mt -139.89 7.47 2.27 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 128.998 2.919 . . . . 10.0 111.847 -175.171 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.7 t -134.22 163.24 30.05 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.922 0.889 . . . . 10.0 112.772 172.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -145.09 94.68 2.56 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 127.257 2.223 . . . . 10.0 108.867 -172.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.02 -178.4 6.09 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.55 1.14 . . . . 10.0 112.313 172.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -85.33 144.99 41.59 Favored Pre-proline 0 CA--C 1.548 0.891 0 O-C-N 120.897 -1.127 . . . . 10.0 111.548 -169.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -74.29 47.72 1.64 Allowed 'Trans proline' 0 CA--C 1.547 1.137 1 C-N-CA 126.033 4.489 . . . . 10.0 114.065 -171.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.01 8.87 0.02 OUTLIER Glycine 0 CA--C 1.538 1.514 0 C-N-CA 127.132 2.301 . . . . 10.0 114.467 176.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -64.16 -27.3 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-N 119.7 1.75 . . . . 10.0 113.599 -169.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.5 t -70.77 -53.76 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 125.488 1.515 . . . . 10.0 109.895 173.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.99 -45.08 79.09 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 126.848 2.059 . . . . 10.0 110.438 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -64.56 -35.41 80.9 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 118.467 -0.778 . . . . 10.0 112.717 172.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.452 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -68.21 -42.06 80.39 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 120.162 1.346 . . . . 10.0 111.298 176.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 40.3 t -67.69 -45.2 85.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 125.626 1.57 . . . . 10.0 111.069 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -58.55 -42.86 88.85 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.915 1.686 . . . . 10.0 111.425 170.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.95 -41.4 99.5 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 118.45 0.568 . . . . 10.0 111.085 175.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.78 -39.8 95.13 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 118.902 0.774 . . . . 10.0 113.081 171.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -62.1 -43.13 99.51 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.508 1.049 . . . . 10.0 112.333 173.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 46.2 mtt-85 -66.88 -36.36 82.11 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.168 0.895 . . . . 10.0 111.77 173.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.4 t -63.0 -35.42 80.14 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.107 0.963 . . . . 10.0 111.123 174.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -63.77 -43.98 94.77 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.964 0.906 . . . . 10.0 112.103 172.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -62.31 -41.39 98.48 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 118.632 0.651 . . . . 10.0 111.149 174.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 73.0 m -65.07 -32.39 74.08 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.727 0.811 . . . . 10.0 112.718 174.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -66.93 -42.37 85.44 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.279 -0.888 . . . . 10.0 111.402 175.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 N--CA 1.468 0.443 0 CA-C-N 119.226 0.921 . . . . 10.0 111.799 175.309 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 77.2 mt . . . . . 0 CA--C 1.53 0.192 0 CA-C-O 122.602 1.191 . . . . 10.0 107.911 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.7 p -144.87 178.38 8.06 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 127.647 2.379 . . . . 10.0 108.509 -167.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -48.01 -38.1 16.3 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.225 1.01 . . . . 10.0 113.664 -175.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.61 -63.03 5.17 Favored Glycine 0 CA--C 1.529 0.964 0 C-N-CA 123.804 0.716 . . . . 10.0 112.747 173.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.98 -37.5 74.33 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 117.463 0.631 . . . . 10.0 112.229 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.41 -39.85 85.54 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.588 1.329 . . . . 10.0 114.588 172.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -68.36 -37.82 80.83 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 120.025 1.284 . . . . 10.0 111.857 172.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -68.71 -38.69 80.44 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.009 0.924 . . . . 10.0 112.176 175.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.1 mt -64.78 -48.1 85.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 119.224 0.92 . . . . 10.0 109.349 170.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.2 m -58.94 -41.02 86.4 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.416 -0.802 . . . . 10.0 111.205 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.1 m -63.6 -43.7 96.15 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.167 1.387 . . . . 10.0 112.39 172.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -59.43 -42.59 92.24 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 118.987 0.812 . . . . 10.0 112.2 176.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.411 HD21 HD13 ' A' ' 82' ' ' LEU . 1.8 mm? -72.07 -39.03 69.31 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 117.877 -1.059 . . . . 10.0 112.552 177.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -56.28 -50.08 72.41 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 119.712 1.142 . . . . 10.0 111.292 169.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -64.62 -35.29 80.55 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 118.739 -0.648 . . . . 10.0 111.356 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.7 m -61.12 -47.26 87.1 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.21 0.914 . . . . 10.0 111.727 176.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.508 HG23 ' HB1' ' A' ' 74' ' ' ALA . 52.1 mt -69.31 -46.98 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 CA-C-N 118.547 0.612 . . . . 10.0 110.418 176.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.0 m -59.84 -43.91 94.38 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 118.356 0.525 . . . . 10.0 111.972 -179.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -65.86 -38.77 89.71 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 118.584 -0.722 . . . . 10.0 111.864 173.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -61.83 -45.91 91.76 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-N 119.672 1.124 . . . . 10.0 110.113 175.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.8 mt -61.29 -52.95 55.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-O 118.166 -0.921 . . . . 10.0 109.568 177.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.4 mp -62.19 -18.05 59.9 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.394 1.257 . . . . 10.0 114.394 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -99.71 0.56 42.07 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.539 1.136 . . . . 10.0 113.348 172.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.4 tpt85 -124.61 -26.57 3.82 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.811 1.244 . . . . 10.0 113.523 -176.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.2 t -143.21 145.84 22.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 127.727 2.411 . . . . 10.0 108.278 173.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.5 t -80.53 132.33 35.66 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 120.499 -1.376 . . . . 10.0 112.057 -175.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.26 -24.94 4.94 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.707 1.203 . . . . 10.0 113.333 168.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -70.68 -12.8 61.78 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.733 1.012 . . . . 10.0 113.733 174.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -97.99 -14.3 20.64 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.432 1.493 . . . . 10.0 111.986 172.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 69.3 mt -94.67 126.03 47.18 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 124.879 1.272 . . . . 10.0 109.696 -168.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.0 t -72.12 -52.4 24.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 C-N-CA 124.471 1.108 . . . . 10.0 108.69 169.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -162.12 174.12 13.39 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.624 0.77 . . . . 10.0 112.777 169.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.4 pt -133.11 133.04 58.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 C-N-CA 125.609 1.564 . . . . 10.0 109.542 171.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -117.67 107.18 13.9 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 108.697 -0.853 . . . . 10.0 108.697 -174.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 74.0 mt -131.02 117.59 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 123.493 0.717 . . . . 10.0 109.175 -172.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 96.7 m -119.91 129.82 54.53 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 125.531 1.532 . . . . 10.0 109.418 177.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.7 t -115.77 136.1 53.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 C-N-CA 124.534 1.134 . . . . 10.0 108.687 174.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -117.66 135.9 53.69 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.086 1.355 . . . . 10.0 108.277 174.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.6 p -139.96 130.94 31.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 123.625 0.77 . . . . 10.0 110.203 173.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -141.91 160.05 40.98 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.769 1.228 . . . . 10.0 111.223 -173.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -135.92 108.43 7.41 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 107.941 -1.133 . . . . 10.0 107.941 171.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 95.1 m -131.66 86.64 2.37 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.006 -1.059 . . . . 10.0 109.23 174.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.6 t70 65.0 -35.12 0.18 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 127.172 2.189 . . . . 10.0 113.434 -168.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -122.96 156.62 34.38 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.678 1.991 . . . . 10.0 110.04 168.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 tt -85.43 128.98 34.91 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.058 1.343 . . . . 10.0 109.068 176.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -128.04 139.98 52.23 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.797 1.239 . . . . 10.0 110.072 177.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 11.5 p -136.4 140.63 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 124.682 1.193 . . . . 10.0 109.917 174.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -141.03 146.24 36.95 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.581 1.552 . . . . 10.0 110.793 -173.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.6 mm -130.73 131.19 64.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 125.193 1.397 . . . . 10.0 108.617 -170.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.0 t -131.58 122.15 25.59 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.572 1.149 . . . . 10.0 109.409 169.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.28 143.93 50.91 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.02 0.928 . . . . 10.0 112.072 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.12 147.37 41.84 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 126.046 1.739 . . . . 10.0 111.221 177.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 59.5 tp -128.12 118.31 23.19 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 124.97 1.308 . . . . 10.0 110.678 -175.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -114.15 103.03 10.71 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 122.119 0.962 . . . . 10.0 109.854 178.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 42.9 mt -89.35 152.26 21.62 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 126.992 2.117 . . . . 10.0 111.492 176.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.437 ' C ' ' H ' ' A' ' 63' ' ' LEU . 37.5 t0 -62.56 147.51 48.86 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.276 170.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -64.95 18.95 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 127.773 2.429 . . . . 10.0 113.53 -178.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.437 ' H ' ' C ' ' A' ' 61' ' ' ASP . 97.3 mt -138.63 7.25 2.53 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 128.733 2.813 . . . . 10.0 112.306 -173.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.3 t -125.88 156.43 39.65 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.903 0.881 . . . . 10.0 111.682 169.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -140.59 94.64 2.75 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 126.905 2.082 . . . . 10.0 108.118 -174.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.86 178.51 7.27 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.704 1.201 . . . . 10.0 111.819 173.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -85.42 145.01 41.4 Favored Pre-proline 0 CA--C 1.546 0.814 0 O-C-N 120.881 -1.137 . . . . 10.0 112.05 -169.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -73.07 61.45 3.96 Favored 'Trans proline' 0 CA--C 1.543 0.933 1 C-N-CA 125.863 4.376 . . . . 10.0 112.79 -173.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 166.86 -10.3 0.06 OUTLIER Glycine 0 CA--C 1.536 1.401 0 C-N-CA 126.645 2.069 . . . . 10.0 114.034 -175.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.2 tt -57.98 -26.03 27.59 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 CA-C-N 119.431 1.615 . . . . 10.0 114.54 -173.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 96.9 t -76.85 -53.65 14.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 125.387 1.475 . . . . 10.0 110.477 171.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -53.11 -36.15 60.44 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.13 1.372 . . . . 10.0 111.721 177.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -63.65 -37.28 86.73 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 122.975 0.51 . . . . 10.0 111.625 171.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.508 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -69.23 -42.2 75.99 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 119.122 0.874 . . . . 10.0 111.006 178.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.484 HG12 ' CE2' ' A' ' 79' ' ' TYR . 1.5 t -70.36 -42.99 78.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-O 118.927 -0.559 . . . . 10.0 110.625 179.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -58.7 -42.07 87.78 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.283 1.433 . . . . 10.0 111.738 171.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.92 -41.87 99.61 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 118.82 -0.61 . . . . 10.0 111.246 174.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.5 -45.17 88.43 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.208 0.913 . . . . 10.0 112.704 173.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.484 ' CE2' HG12 ' A' ' 75' ' ' VAL . 46.8 m-85 -63.4 -43.66 96.89 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.305 0.957 . . . . 10.0 111.696 178.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -72.39 -37.26 68.75 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.108 0.963 . . . . 10.0 112.6 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.9 t -63.11 -43.69 97.73 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 119.153 -0.451 . . . . 10.0 110.165 172.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.411 HD13 HD21 ' A' ' 18' ' ' LEU . 14.5 tp -64.47 -47.12 80.17 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 118.115 0.416 . . . . 10.0 112.071 176.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -59.56 -41.53 90.35 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 119.197 -0.43 . . . . 10.0 111.383 177.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.4 t -72.22 -22.45 61.26 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 113.272 0.841 . . . . 10.0 113.272 175.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -80.98 -41.9 22.05 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.835 1.254 . . . . 10.0 112.907 178.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.6 mm? . . . . . 0 C--N 1.35 0.594 0 CA-C-N 118.856 0.753 . . . . 10.0 110.84 169.087 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.8 mt . . . . . 0 CA--C 1.534 0.329 0 CA-C-O 121.006 0.431 . . . . 10.0 111.402 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.0 p -130.17 178.8 6.29 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 126.637 1.975 . . . . 10.0 109.754 177.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -48.01 -29.77 3.76 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.625 1.17 . . . . 10.0 113.493 174.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.19 -49.85 5.73 Favored Glycine 0 CA--C 1.532 1.13 0 CA-C-N 118.797 0.726 . . . . 10.0 113.406 176.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.62 -42.17 98.21 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.012 0.925 . . . . 10.0 111.01 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.6 mt -68.33 -35.19 77.41 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 118.365 -0.826 . . . . 10.0 111.432 176.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . 0.269 14.5 t0 -70.15 -35.71 74.22 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 114.548 1.314 . . . . 10.0 114.548 170.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -54.72 -42.86 72.05 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 120.277 1.399 . . . . 10.0 109.729 169.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.4 mt -64.89 -46.38 91.97 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 CA-C-O 118.318 -0.849 . . . . 10.0 111.414 172.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -43.17 89.25 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 120.625 1.557 . . . . 10.0 111.35 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.4 t -68.81 -37.47 79.24 Favored 'General case' 0 C--N 1.339 0.109 0 CA-C-O 118.026 -0.988 . . . . 10.0 111.829 175.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -60.68 -42.46 97.16 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.526 1.057 . . . . 10.0 111.688 176.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.439 HD21 HD13 ' A' ' 82' ' ' LEU . 1.5 mm? -72.96 -41.8 64.05 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 118.286 -0.864 . . . . 10.0 112.92 175.306 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -56.41 -47.87 78.13 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.335 0.97 . . . . 10.0 111.282 174.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -63.63 -38.47 91.25 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.246 0.618 . . . . 10.0 111.906 175.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 91.6 m -62.16 -46.46 88.86 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 119.363 0.983 . . . . 10.0 111.567 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.465 HG23 ' HB1' ' A' ' 74' ' ' ALA . 57.4 mt -69.63 -43.11 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 CA-C-N 118.361 0.528 . . . . 10.0 110.601 177.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 t -56.99 -50.7 71.91 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.075 0.55 . . . . 10.0 111.728 176.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.82 -38.97 87.26 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 118.175 -0.917 . . . . 10.0 113.278 173.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -61.53 -45.62 93.39 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 120.039 1.291 . . . . 10.0 111.119 175.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 70.0 mt -64.24 -53.13 47.15 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 123.962 0.905 . . . . 10.0 109.273 178.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.43 -19.41 64.68 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 113.878 1.066 . . . . 10.0 113.878 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -100.11 0.93 41.68 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.351 1.061 . . . . 10.0 112.989 175.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.4 ' HB3' HD11 ' A' ' 70' ' ' ILE . 47.6 mtt180 -116.12 -34.35 4.73 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.974 1.472 . . . . 10.0 114.974 169.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.9 p -138.22 140.14 40.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 124.912 1.285 . . . . 10.0 109.798 -174.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.1 t -78.92 135.96 37.12 Favored 'General case' 0 C--O 1.225 -0.217 0 O-C-N 121.515 -0.74 . . . . 10.0 110.956 -176.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.41 -25.13 3.57 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.642 1.177 . . . . 10.0 113.488 169.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -61.3 -20.23 62.67 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.992 1.108 . . . . 10.0 113.992 171.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -95.6 -13.37 24.44 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.457 1.903 . . . . 10.0 111.498 176.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.9 mm -106.6 123.86 61.77 Favored 'Isoleucine or valine' 0 C--N 1.343 0.289 0 C-N-CA 125.319 1.448 . . . . 10.0 110.198 -168.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 38.2 t -70.64 -51.88 33.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 C-N-CA 124.111 0.964 . . . . 10.0 109.477 169.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -165.96 177.16 7.26 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.493 0.717 . . . . 10.0 112.321 175.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.8 pt -132.27 142.71 42.0 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 125.165 1.386 . . . . 10.0 111.233 170.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -113.53 121.71 45.07 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 107.656 -1.239 . . . . 10.0 107.656 167.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.2 mt -131.21 120.23 46.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 108.219 -1.03 . . . . 10.0 108.219 174.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 86.1 m -119.77 124.87 47.23 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 124.79 1.236 . . . . 10.0 108.836 176.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.7 t -111.55 117.92 56.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 N-CA-C 106.566 -1.642 . . . . 10.0 106.566 170.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.0 mt -102.97 139.12 38.95 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 125.222 1.409 . . . . 10.0 108.163 174.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.9 p -139.08 139.4 40.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 108.309 -0.997 . . . . 10.0 108.309 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -148.75 153.57 38.36 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.924 0.89 . . . . 10.0 110.282 -169.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -133.48 102.48 5.53 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 121.433 0.635 . . . . 10.0 109.956 170.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.2 t -131.14 80.92 1.96 Allowed 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.727 1.211 . . . . 10.0 108.589 -178.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.9 t70 65.29 -39.55 0.28 Allowed 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 127.813 2.445 . . . . 10.0 113.247 -167.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -111.13 159.62 17.67 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 127.563 2.345 . . . . 10.0 111.064 168.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -85.44 129.0 34.91 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.762 1.225 . . . . 10.0 108.433 171.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -122.69 147.15 46.8 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.464 0.65 . . . . 10.0 111.148 169.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.5 p -136.13 132.72 50.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 126.033 1.733 . . . . 10.0 107.278 169.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -138.87 130.44 27.38 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.996 1.318 . . . . 10.0 107.509 -169.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.2 mt -126.29 131.6 71.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 123.034 0.534 . . . . 10.0 109.642 -169.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.4 t -131.44 126.56 35.4 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 125.144 1.378 . . . . 10.0 109.173 175.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.12 149.56 52.54 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.866 0.867 . . . . 10.0 111.164 177.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.26 146.67 40.7 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.626 1.57 . . . . 10.0 110.185 175.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 35.2 tp -127.94 104.24 7.69 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 125.82 1.648 . . . . 10.0 109.2 -172.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -91.48 104.67 17.15 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.286 -1.005 . . . . 10.0 108.286 -178.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.4 mt -82.01 151.75 26.99 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 124.995 1.318 . . . . 10.0 110.027 175.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.428 ' C ' ' H ' ' A' ' 63' ' ' LEU . 25.9 t0 -62.38 147.12 49.44 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.7 -0.682 . . . . 10.0 110.728 168.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -70.43 25.37 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 126.048 1.739 . . . . 10.0 113.088 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.428 ' H ' ' C ' ' A' ' 61' ' ' ASP . 1.0 OUTLIER -152.8 7.61 0.42 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 129.135 2.974 . . . . 10.0 111.776 -171.532 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.4 m -132.37 149.46 52.35 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.678 1.591 . . . . 10.0 111.342 -178.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -144.1 94.57 2.6 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.414 1.086 . . . . 10.0 110.366 -169.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.57 -171.53 3.68 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.922 1.289 . . . . 10.0 111.613 168.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -85.36 142.26 37.68 Favored Pre-proline 0 CA--C 1.547 0.858 0 O-C-N 120.589 -1.319 . . . . 10.0 112.041 -169.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -74.12 57.84 4.09 Favored 'Trans proline' 0 CA--C 1.544 1.007 1 C-N-CA 125.8 4.333 . . . . 10.0 113.049 -173.148 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 171.15 -10.88 0.04 OUTLIER Glycine 0 CA--C 1.536 1.349 0 C-N-CA 126.461 1.982 . . . . 10.0 114.34 -176.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.4 HD11 ' HB3' ' A' ' 29' ' ' ARG . 2.2 tt -53.64 -30.54 18.64 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 C-N-CA 125.568 1.547 . . . . 10.0 114.502 -172.006 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.8 t -75.17 -54.0 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.752 1.221 . . . . 10.0 110.439 177.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -58.34 -41.04 83.74 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.542 1.137 . . . . 10.0 111.347 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -63.93 -31.63 72.88 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 118.559 -0.734 . . . . 10.0 112.32 172.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.465 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -67.54 -40.41 85.01 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.88 1.218 . . . . 10.0 111.241 174.243 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.418 HG12 ' CE2' ' A' ' 79' ' ' TYR . 1.6 t -73.21 -43.07 57.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 118.372 -0.823 . . . . 10.0 110.839 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -58.74 -39.03 79.73 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 119.665 1.12 . . . . 10.0 110.662 169.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.83 -41.11 99.19 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 120.394 1.452 . . . . 10.0 111.222 175.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.96 -45.09 96.12 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.947 0.794 . . . . 10.0 112.772 170.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.418 ' CE2' HG12 ' A' ' 75' ' ' VAL . 50.7 m-85 -63.5 -43.03 98.41 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.403 1.001 . . . . 10.0 112.305 177.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.1 mmp_? -67.34 -43.25 82.0 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.073 1.749 . . . . 10.0 111.52 177.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 37.6 m -63.14 -45.59 91.23 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-O 118.322 -0.847 . . . . 10.0 110.059 174.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.439 HD13 HD21 ' A' ' 18' ' ' LEU . 15.4 tp -63.35 -41.38 98.86 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-N 118.685 0.675 . . . . 10.0 112.304 178.255 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -59.35 -41.53 89.43 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.846 0.858 . . . . 10.0 110.862 173.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 29.9 p -69.22 -31.72 70.49 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.25 0.833 . . . . 10.0 113.25 176.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -80.96 -42.23 21.59 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.449 1.1 . . . . 10.0 112.431 -178.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 N--CA 1.467 0.391 0 C-N-CA 123.788 0.835 . . . . 10.0 111.546 175.023 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 N--CA 1.455 -0.209 0 CA-C-O 121.258 0.551 . . . . 10.0 110.765 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.9 t -141.27 -171.16 3.23 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.509 1.524 . . . . 10.0 109.488 173.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -50.32 -39.5 46.03 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.734 1.214 . . . . 10.0 112.166 -173.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.26 -46.69 93.4 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 123.837 0.732 . . . . 10.0 114.189 177.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.82 -44.0 94.55 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.803 1.301 . . . . 10.0 110.514 176.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.7 mp -66.01 -36.69 83.96 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.076 0.95 . . . . 10.0 113.263 176.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -66.84 -44.18 81.74 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.279 1.032 . . . . 10.0 111.562 170.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -62.01 -44.09 97.45 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 118.967 0.803 . . . . 10.0 111.541 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -64.75 -43.03 96.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 123.233 0.613 . . . . 10.0 110.721 173.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.4 m -61.33 -37.4 83.12 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 121.642 -0.661 . . . . 10.0 112.149 176.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.7 t -68.31 -43.94 76.52 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-O 117.86 -1.067 . . . . 10.0 110.841 171.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -56.94 -38.92 73.58 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 120.48 1.491 . . . . 10.0 111.974 177.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.3 mt -65.5 -51.45 59.93 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.68 0.792 . . . . 10.0 112.044 171.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -59.63 -46.36 89.24 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.918 0.781 . . . . 10.0 112.25 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -60.66 -42.41 96.97 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.061 1.344 . . . . 10.0 110.825 174.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.6 m -61.01 -47.31 87.05 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.209 0.913 . . . . 10.0 110.465 178.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.431 HG23 ' HB1' ' A' ' 74' ' ' ALA . 47.7 mt -62.79 -49.39 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-N 118.314 0.506 . . . . 10.0 110.465 176.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.2 t -59.05 -47.1 86.45 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.211 0.604 . . . . 10.0 112.186 -177.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -65.32 -38.48 90.3 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.736 -0.602 . . . . 10.0 111.943 176.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -66.85 -37.69 84.93 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.313 -0.867 . . . . 10.0 111.989 175.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.6 mt -62.2 -52.98 53.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 CA-C-O 118.267 -0.873 . . . . 10.0 109.071 171.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.1 mp -59.02 -30.44 68.01 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 113.602 0.964 . . . . 10.0 113.602 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.12 -17.62 52.05 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.763 1.023 . . . . 10.0 113.763 173.245 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -100.32 -31.21 11.45 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 114.344 1.238 . . . . 10.0 114.344 177.283 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 38.6 t -145.52 139.34 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 126.552 1.941 . . . . 10.0 108.972 -175.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.4 t -76.48 136.39 39.38 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 113.822 1.045 . . . . 10.0 113.822 -176.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.91 -24.62 3.74 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 123.908 0.883 . . . . 10.0 112.404 165.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -70.57 -22.63 62.56 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 114.71 1.374 . . . . 10.0 114.71 173.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -113.03 -11.47 13.36 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 119.701 1.137 . . . . 10.0 112.745 -177.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.1 mt -85.76 128.03 39.6 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 126.545 1.938 . . . . 10.0 108.301 168.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.6 t -73.49 -49.17 38.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 123.851 0.86 . . . . 10.0 109.568 168.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -161.84 174.89 12.53 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 121.706 0.765 . . . . 10.0 112.747 172.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 pp -130.56 143.24 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 C-N-CA 125.21 1.404 . . . . 10.0 110.559 169.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -119.16 127.97 53.82 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 106.318 -1.734 . . . . 10.0 106.318 168.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 62.3 mt -131.31 126.52 58.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 N-CA-C 107.317 -1.364 . . . . 10.0 107.317 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 94.7 m -118.95 117.58 29.21 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 107.744 -1.206 . . . . 10.0 107.744 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.6 t -115.69 123.05 70.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 N-CA-C 107.394 -1.335 . . . . 10.0 107.394 169.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.8 mt -117.77 138.25 52.18 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 124.072 0.949 . . . . 10.0 108.542 171.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.6 p -139.57 131.08 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 C-N-CA 124.114 0.966 . . . . 10.0 108.673 -179.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -147.28 159.77 43.28 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.961 0.905 . . . . 10.0 110.348 -169.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -135.82 113.34 10.81 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.422 0.689 . . . . 10.0 109.746 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 98.6 m -131.86 86.46 2.34 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 120.966 -1.084 . . . . 10.0 109.946 171.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.3 t70 64.6 -36.26 0.19 Allowed 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 127.289 2.235 . . . . 10.0 113.728 -168.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -119.8 156.15 31.18 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 128.099 2.56 . . . . 10.0 110.347 169.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 53.7 tp -85.35 129.3 34.84 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 126.351 1.861 . . . . 10.0 110.503 177.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -126.65 147.3 49.93 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.769 0.795 . . . . 10.0 111.213 168.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 8.9 p -136.11 141.8 40.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 C-N-CA 125.415 1.486 . . . . 10.0 107.975 172.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -141.35 125.81 17.7 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.479 1.512 . . . . 10.0 108.8 -166.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.8 mt -132.19 132.53 60.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 123.474 0.71 . . . . 10.0 111.577 -169.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.4 t -130.37 139.91 50.63 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.351 1.461 . . . . 10.0 108.944 167.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.43 143.36 50.39 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.284 0.633 . . . . 10.0 110.496 169.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -131.49 136.61 48.04 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.845 1.658 . . . . 10.0 109.503 -173.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -115.02 122.39 46.06 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 125.492 1.517 . . . . 10.0 108.731 -177.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -114.09 102.78 10.49 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 107.851 -1.166 . . . . 10.0 107.851 172.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -82.4 152.09 26.33 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 126.243 1.817 . . . . 10.0 111.615 177.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.415 ' C ' ' H ' ' A' ' 63' ' ' LEU . 32.5 t0 -58.46 147.29 32.19 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 112.176 0.436 . . . . 10.0 112.176 168.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.48 25.2 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 128.545 2.738 . . . . 10.0 113.671 -178.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.415 ' H ' ' C ' ' A' ' 61' ' ' ASP . 28.4 tp -145.01 1.59 0.99 Allowed 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 129.033 2.933 . . . . 10.0 111.259 -173.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.7 m -129.1 155.91 44.71 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.089 1.356 . . . . 10.0 111.775 -169.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -151.56 94.84 2.05 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.542 1.137 . . . . 10.0 109.507 -171.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.66 -173.24 3.7 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.764 1.626 . . . . 10.0 113.038 178.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -85.46 141.58 36.81 Favored Pre-proline 0 CA--C 1.546 0.825 0 O-C-N 120.771 -1.205 . . . . 10.0 110.275 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -73.89 50.54 2.15 Favored 'Trans proline' 0 CA--C 1.548 1.191 1 C-N-CA 125.879 4.386 . . . . 10.0 113.053 -177.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 177.74 4.62 0.02 OUTLIER Glycine 0 CA--C 1.542 1.779 0 C-N-CA 127.771 2.605 . . . . 10.0 114.705 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.2 tt -62.82 -25.31 38.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 CA-C-N 119.472 1.636 . . . . 10.0 114.354 -169.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.4 p -86.14 -37.13 11.38 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.209 0 C-N-CA 124.338 1.055 . . . . 10.0 112.613 176.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.65 -36.18 61.8 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.878 1.271 . . . . 10.0 110.723 173.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -63.65 -40.93 98.1 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.746 0.819 . . . . 10.0 111.478 172.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.431 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -68.13 -42.39 80.24 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.942 0.792 . . . . 10.0 111.943 177.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.458 HG12 ' CE2' ' A' ' 79' ' ' TYR . 1.8 t -69.71 -45.25 78.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 CA-C-N 118.279 0.491 . . . . 10.0 110.952 -179.208 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -58.67 -40.12 82.61 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.622 1.169 . . . . 10.0 111.002 172.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.51 94.77 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 120.916 -1.115 . . . . 10.0 112.822 172.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.07 -42.72 96.88 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.434 1.016 . . . . 10.0 112.318 172.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.458 ' CE2' HG12 ' A' ' 75' ' ' VAL . 49.2 m-85 -62.78 -43.21 99.4 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.791 -0.568 . . . . 10.0 112.011 174.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -72.29 -38.9 68.64 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 118.364 -0.827 . . . . 10.0 112.824 178.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.6 p -63.2 -40.62 98.03 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 119.266 0.939 . . . . 10.0 110.909 174.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 29.9 tp -64.03 -47.05 81.74 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 118.837 -0.601 . . . . 10.0 112.089 174.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -64.66 -41.29 96.19 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 118.881 0.764 . . . . 10.0 111.5 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.6 t -72.12 -19.26 61.82 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.472 0.916 . . . . 10.0 113.472 176.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -81.12 -42.39 21.02 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.38 1.072 . . . . 10.0 111.097 169.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 N--CA 1.47 0.55 0 C-N-CA 124.457 1.103 . . . . 10.0 113.515 175.259 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.3 mt . . . . . 0 CA--C 1.534 0.336 0 N-CA-C 110.258 -0.275 . . . . 10.0 110.258 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.2 t -148.74 -166.98 2.7 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.781 0.832 . . . . 10.0 110.79 -178.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -59.11 23.61 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 130.851 3.66 . . . . 10.0 115.818 -176.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.46 -49.04 0.04 OUTLIER Glycine 0 CA--C 1.526 0.779 0 C-N-CA 125.736 1.636 . . . . 10.0 111.145 171.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.14 -42.54 75.84 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.409 1.484 . . . . 10.0 111.328 179.133 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.9 mt -69.91 -31.99 70.06 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.068 0.947 . . . . 10.0 112.151 170.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -67.82 -41.09 83.6 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 122.995 0.518 . . . . 10.0 111.635 174.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -61.93 -39.2 91.23 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.146 -0.971 . . . . 10.0 112.423 172.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 78.8 mt -64.93 -43.78 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 121.402 -0.811 . . . . 10.0 110.444 172.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.9 m -61.07 -40.97 95.71 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.715 0.806 . . . . 10.0 111.572 176.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.3 t -63.31 -43.88 96.58 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 125.734 1.614 . . . . 10.0 111.593 172.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -58.38 -42.49 87.18 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.776 0.716 . . . . 10.0 111.933 173.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.95 -51.14 68.06 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.514 0.597 . . . . 10.0 111.835 174.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -59.35 -44.03 92.72 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.37 0.668 . . . . 10.0 112.177 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -64.46 -40.1 95.07 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 118.685 -0.674 . . . . 10.0 111.479 173.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.3 m -61.16 -47.22 87.19 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.423 1.01 . . . . 10.0 111.83 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.479 HG23 ' HB1' ' A' ' 74' ' ' ALA . 39.3 mt -61.16 -44.75 98.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 CA-C-N 118.554 0.615 . . . . 10.0 110.209 174.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.8 m -60.44 -50.99 71.38 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.631 0.773 . . . . 10.0 111.729 -178.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -58.76 -38.57 78.78 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 115.686 1.736 . . . . 10.0 115.686 169.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -64.46 -45.89 85.47 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.283 0.947 . . . . 10.0 110.286 177.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.5 mt -61.6 -49.43 84.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 124.559 1.143 . . . . 10.0 110.38 176.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.9 -10.67 14.28 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 114.309 1.226 . . . . 10.0 114.309 176.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.2 mtmm -118.24 14.77 13.95 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.118 1.367 . . . . 10.0 112.413 172.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.67 -38.67 3.43 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 126.994 2.118 . . . . 10.0 113.226 169.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.0 p -146.43 151.64 14.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.798 1.239 . . . . 10.0 110.879 -175.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.3 t -80.51 124.13 28.68 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 121.563 -0.711 . . . . 10.0 111.774 -174.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.84 -24.84 3.83 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.28 1.432 . . . . 10.0 113.705 169.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -58.15 -19.79 35.68 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 113.992 1.108 . . . . 10.0 113.992 170.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -102.98 -8.65 20.47 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.894 1.677 . . . . 10.0 112.197 178.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.6 mm -97.39 119.82 45.93 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 C-N-CA 124.723 1.209 . . . . 10.0 108.771 -172.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.5 t -68.91 -50.12 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 C-N-CA 124.352 1.061 . . . . 10.0 109.271 170.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -164.03 177.05 8.77 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.389 0.885 . . . . 10.0 113.389 171.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.1 pt -131.2 142.53 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 125.55 1.54 . . . . 10.0 110.364 169.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -129.1 117.76 21.37 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 124.321 1.049 . . . . 10.0 109.095 173.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.3 mt -128.58 126.36 65.21 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 N-CA-C 107.828 -1.175 . . . . 10.0 107.828 -174.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 53.6 m -119.6 117.6 28.76 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 125.171 1.388 . . . . 10.0 107.682 178.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 m -115.77 120.21 64.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 126.475 1.91 . . . . 10.0 108.161 177.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.0 mp -117.64 138.84 51.69 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 124.533 1.133 . . . . 10.0 108.592 176.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.8 p -139.77 134.68 38.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 123.725 0.81 . . . . 10.0 108.948 172.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -145.98 156.37 43.45 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.718 1.207 . . . . 10.0 109.538 -174.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -130.42 108.36 9.91 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 109.453 -0.573 . . . . 10.0 109.453 174.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.8 t -131.26 80.69 1.95 Allowed 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.615 1.166 . . . . 10.0 108.525 -179.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.6 t70 62.65 -37.26 0.14 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 128.128 2.571 . . . . 10.0 113.785 -167.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -120.23 159.88 24.07 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 128.802 2.841 . . . . 10.0 109.841 171.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 63.0 tp -85.05 129.3 34.82 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.535 1.534 . . . . 10.0 110.096 -177.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -116.63 130.73 56.91 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.444 1.098 . . . . 10.0 109.104 172.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.9 p -136.25 124.65 36.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 C-N-CA 124.575 1.15 . . . . 10.0 108.692 171.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -135.02 133.53 39.51 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 124.46 1.104 . . . . 10.0 109.634 -167.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 38.2 mt -132.04 127.17 57.66 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.116 0 C-N-CA 123.981 0.912 . . . . 10.0 108.831 -169.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.8 m -131.87 133.03 44.17 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 123.705 0.802 . . . . 10.0 109.832 168.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.21 142.08 50.13 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.654 0.781 . . . . 10.0 110.512 176.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -131.4 139.67 49.49 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.787 1.635 . . . . 10.0 109.396 172.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.7 tp -128.06 115.2 18.09 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 126.33 1.852 . . . . 10.0 108.007 -170.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -107.37 110.08 21.97 Favored 'General case' 0 CA--C 1.528 0.105 0 N-CA-C 109.643 -0.503 . . . . 10.0 109.643 -172.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -82.22 151.95 26.63 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 126.596 1.959 . . . . 10.0 110.941 176.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.431 ' C ' ' H ' ' A' ' 63' ' ' LEU . 34.2 t0 -61.38 147.53 44.58 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.245 167.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -64.9 29.29 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 127.439 2.296 . . . . 10.0 113.139 177.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.431 ' H ' ' C ' ' A' ' 61' ' ' ASP . 8.0 tp -150.74 2.78 0.46 Allowed 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 128.618 2.767 . . . . 10.0 112.602 -172.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.8 t -141.59 164.39 30.33 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 119.707 1.14 . . . . 10.0 112.142 171.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -145.48 94.72 2.55 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 127.036 2.134 . . . . 10.0 109.005 -169.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.89 174.81 2.77 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.482 0.713 . . . . 10.0 112.262 169.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -85.29 142.67 38.23 Favored Pre-proline 0 CA--C 1.546 0.79 0 O-C-N 120.912 -1.118 . . . . 10.0 112.026 -168.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -73.99 58.88 4.27 Favored 'Trans proline' 0 CA--C 1.544 1.021 1 C-N-CA 125.842 4.361 . . . . 10.0 113.258 -170.248 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 172.27 -11.66 0.04 OUTLIER Glycine 0 CA--C 1.536 1.384 0 C-N-CA 126.593 2.044 . . . . 10.0 114.132 -178.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.5 tt -55.28 -28.61 21.99 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 C-N-CA 125.721 1.608 . . . . 10.0 114.745 -173.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 79.5 t -80.1 -49.34 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 126.116 1.766 . . . . 10.0 111.292 176.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -57.13 -38.0 72.83 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.536 1.135 . . . . 10.0 111.262 174.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -63.84 -39.72 94.88 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 118.808 -0.615 . . . . 10.0 111.523 170.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.479 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -66.93 -41.17 87.47 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 119.62 1.1 . . . . 10.0 111.674 179.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 45.9 t -65.51 -50.76 70.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 125.23 1.412 . . . . 10.0 110.659 177.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -58.68 -39.08 79.66 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 119.202 0.91 . . . . 10.0 112.018 171.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.27 -38.13 89.97 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 119.49 1.041 . . . . 10.0 111.397 176.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.08 -43.56 91.78 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 118.641 0.655 . . . . 10.0 112.134 169.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -62.72 -43.4 98.91 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 119.213 0.915 . . . . 10.0 113.195 176.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.411 HH21 ' CD ' ' A' ' 83' ' ' GLU . 2.8 mtp180 -71.88 -34.69 69.38 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.653 0.781 . . . . 10.0 110.854 177.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.9 m -63.49 -39.19 93.79 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.772 -0.58 . . . . 10.0 111.552 170.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.0 tp -66.02 -42.5 89.55 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 123.522 0.729 . . . . 10.0 112.096 173.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.411 ' CD ' HH21 ' A' ' 80' ' ' ARG . 80.6 tt0 -59.5 -41.29 89.55 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.352 0.661 . . . . 10.0 111.195 175.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.8 m -71.75 -29.3 64.36 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.49 0.922 . . . . 10.0 113.49 170.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -67.18 -42.45 84.21 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.224 -0.923 . . . . 10.0 110.762 176.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.4 mm? . . . . . 0 N--CA 1.471 0.599 0 CA-C-N 119.763 1.165 . . . . 10.0 112.303 174.08 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 CA--C 1.533 0.29 0 N-CA-C 108.68 -0.859 . . . . 10.0 108.68 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.3 t -149.32 175.16 11.67 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 125.77 1.628 . . . . 10.0 109.588 -169.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -61.9 41.22 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 129.973 3.309 . . . . 10.0 114.044 173.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.62 -58.68 0.01 OUTLIER Glycine 0 CA--C 1.528 0.905 0 C-N-CA 128.282 2.848 . . . . 10.0 109.214 176.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.01 -44.47 96.64 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 117.83 0.815 . . . . 10.0 111.782 173.013 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.4 mt -67.1 -41.23 86.6 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.025 0.53 . . . . 10.0 111.433 179.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -70.21 -35.87 74.19 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 114.394 1.257 . . . . 10.0 114.394 174.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -54.83 -43.33 72.9 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.677 1.126 . . . . 10.0 110.503 169.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 92.2 mt -65.18 -42.61 94.62 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 C-N-CA 123.342 0.657 . . . . 10.0 111.689 172.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.72 -43.28 90.09 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 119.565 1.075 . . . . 10.0 111.18 176.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.9 t -67.56 -43.87 79.62 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 125.192 1.397 . . . . 10.0 111.553 177.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -59.72 -42.62 93.48 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 118.601 0.637 . . . . 10.0 111.841 175.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.6 mt -68.54 -44.8 73.79 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.266 0.626 . . . . 10.0 111.898 176.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -58.62 -49.18 78.43 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.374 0.534 . . . . 10.0 111.29 175.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -60.7 -39.4 88.4 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-O 118.588 -0.72 . . . . 10.0 112.029 173.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.8 m -61.02 -42.8 99.15 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.715 1.143 . . . . 10.0 111.264 -178.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.473 HG23 ' HB1' ' A' ' 74' ' ' ALA . 45.5 mt -70.44 -47.31 66.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 CA-C-N 118.294 0.497 . . . . 10.0 110.971 172.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.1 t -60.78 -48.17 83.01 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.205 0.602 . . . . 10.0 112.073 -175.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -66.63 -33.68 76.19 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.459 1.104 . . . . 10.0 112.457 175.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -62.64 -45.92 90.6 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 119.683 1.129 . . . . 10.0 110.427 171.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.0 mt -63.63 -50.03 79.84 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 123.987 0.915 . . . . 10.0 110.271 178.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -59.01 -18.97 39.34 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.031 1.332 . . . . 10.0 113.743 178.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -112.66 9.67 19.31 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.55 1.14 . . . . 10.0 112.462 176.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.69 -38.78 4.19 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.553 1.941 . . . . 10.0 112.461 169.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.411 HG11 HD21 ' A' ' 60' ' ' LEU . 10.7 t -142.06 146.68 22.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 125.63 1.572 . . . . 10.0 109.639 -177.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.1 t -79.84 136.31 36.67 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 114.934 1.457 . . . . 10.0 114.934 -168.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.69 -24.82 9.32 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 120.975 -1.078 . . . . 10.0 113.232 167.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -71.21 -22.7 61.98 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.918 1.081 . . . . 10.0 113.918 173.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -113.97 2.82 15.14 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.063 0.945 . . . . 10.0 112.466 -177.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 73.5 mt -99.14 125.82 52.56 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 126.434 1.894 . . . . 10.0 107.728 172.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.5 t -71.32 -53.32 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 C-N-CA 124.289 1.036 . . . . 10.0 109.069 169.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -164.44 177.06 8.47 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.667 0.787 . . . . 10.0 112.162 172.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.9 pt -134.0 129.62 54.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 125.484 1.514 . . . . 10.0 111.048 174.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -97.27 119.76 36.39 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 107.842 -1.17 . . . . 10.0 107.842 168.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 87.2 mt -131.18 121.08 48.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 N-CA-C 108.683 -0.858 . . . . 10.0 108.683 172.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 71.5 m -119.74 117.89 29.42 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 125.112 1.365 . . . . 10.0 108.383 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.4 t -115.7 120.15 63.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 124.475 1.11 . . . . 10.0 108.838 172.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.4 mp -117.71 139.32 51.19 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.819 1.647 . . . . 10.0 109.089 175.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.9 p -136.78 137.25 47.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 O-C-N 121.559 -0.713 . . . . 10.0 109.194 176.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -149.9 152.08 34.48 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.492 1.117 . . . . 10.0 109.793 -168.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -139.0 101.74 4.36 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 106.83 -1.545 . . . . 10.0 106.83 178.292 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -130.82 81.53 2.0 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 126.264 1.825 . . . . 10.0 107.565 -169.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.5 t70 68.92 -34.82 0.28 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 127.655 2.382 . . . . 10.0 112.503 -167.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -133.94 159.81 39.61 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.257 1.823 . . . . 10.0 110.234 169.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 40.4 tp -85.03 128.91 34.83 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.423 1.489 . . . . 10.0 109.381 -177.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -135.88 147.44 48.19 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 122.231 1.015 . . . . 10.0 111.428 174.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.0 p -136.16 133.12 50.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 125.199 1.399 . . . . 10.0 108.345 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -117.94 129.18 55.46 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 126.078 1.751 . . . . 10.0 107.449 -174.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 31.7 mt -130.15 127.34 63.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 N-CA-C 108.177 -1.046 . . . . 10.0 108.177 178.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.0 m -131.87 133.98 45.22 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 123.718 0.807 . . . . 10.0 109.997 168.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.26 145.92 52.1 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.034 0.934 . . . . 10.0 110.829 174.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.76 147.37 39.01 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.489 1.515 . . . . 10.0 110.202 174.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 68.0 tp -127.97 104.22 7.68 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 125.485 1.514 . . . . 10.0 110.393 -169.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -94.02 102.96 15.05 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 108.785 -0.82 . . . . 10.0 108.785 -178.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.411 HD21 HG11 ' A' ' 30' ' ' VAL . 77.1 mt -87.45 152.07 22.53 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 125.318 1.447 . . . . 10.0 112.356 179.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -59.63 147.11 38.55 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.502 -0.772 . . . . 10.0 110.742 169.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -72.58 36.41 0.07 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.296 1.839 . . . . 10.0 113.715 -175.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.0 tt -146.97 -37.94 0.21 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 127.098 2.159 . . . . 10.0 111.182 -169.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.9 m -86.99 159.24 19.06 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.555 0.742 . . . . 10.0 112.465 175.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -150.07 94.76 2.19 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.168 1.387 . . . . 10.0 108.493 -174.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.7 -178.03 6.89 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.048 1.339 . . . . 10.0 112.579 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -85.36 143.2 38.69 Favored Pre-proline 0 CA--C 1.548 0.877 0 O-C-N 120.822 -1.173 . . . . 10.0 112.169 -168.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -74.23 58.35 4.3 Favored 'Trans proline' 0 CA--C 1.544 1.014 1 C-N-CA 125.886 4.391 . . . . 10.0 113.726 -169.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 177.75 -19.78 0.04 OUTLIER Glycine 0 CA--C 1.534 1.251 0 C-N-CA 126.356 1.932 . . . . 10.0 113.711 -178.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.2 tt -53.33 -24.5 8.61 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 N-CA-C 116.213 1.931 . . . . 10.0 116.213 -169.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 92.1 t -79.31 -56.98 5.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 125.005 1.322 . . . . 10.0 110.765 173.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -55.79 -36.21 67.15 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.708 1.203 . . . . 10.0 111.502 176.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -63.82 -32.01 73.37 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.793 0.837 . . . . 10.0 112.138 172.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.473 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -68.94 -40.73 78.82 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 119.333 0.97 . . . . 10.0 111.137 174.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.459 HG12 ' CE2' ' A' ' 79' ' ' TYR . 1.6 t -69.86 -43.05 79.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 122.647 0.379 . . . . 10.0 110.641 178.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -58.69 -41.26 85.82 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.601 1.56 . . . . 10.0 111.541 172.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.97 -42.07 99.72 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-O 118.962 -0.542 . . . . 10.0 111.832 172.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.06 -43.57 98.55 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.106 0.866 . . . . 10.0 112.63 172.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.459 ' CE2' HG12 ' A' ' 75' ' ' VAL . 46.5 m-85 -63.83 -43.22 96.84 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.852 0.751 . . . . 10.0 112.017 177.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 58.8 mtt-85 -72.55 -33.92 67.15 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 118.96 0.8 . . . . 10.0 112.592 178.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.9 t -63.05 -43.7 97.88 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-O 118.533 -0.746 . . . . 10.0 110.109 170.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 23.8 tp -62.65 -44.25 96.75 Favored 'General case' 0 C--N 1.343 0.296 0 CA-C-O 118.282 -0.866 . . . . 10.0 112.739 174.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -58.74 -41.5 86.6 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 118.98 0.809 . . . . 10.0 111.579 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . 0.332 38.6 m -90.07 -17.65 27.36 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 114.696 1.369 . . . . 10.0 114.696 178.513 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -64.46 -42.31 96.01 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 107.286 -1.376 . . . . 10.0 107.286 164.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.4 mm? . . . . . 0 N--CA 1.469 0.517 0 C-N-CA 124.992 1.317 . . . . 10.0 113.788 173.672 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 mp . . . . . 0 CA--C 1.536 0.433 0 N-CA-C 109.676 -0.491 . . . . 10.0 109.676 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.3 t -132.59 -176.07 3.97 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.8 0.84 . . . . 10.0 109.674 170.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -46.68 -39.77 12.0 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.224 1.409 . . . . 10.0 113.218 -172.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.45 -56.41 19.93 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 123.815 0.721 . . . . 10.0 113.386 175.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.82 -37.32 86.95 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.084 0.954 . . . . 10.0 111.675 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.9 mt -69.7 -37.42 76.58 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.204 1.002 . . . . 10.0 112.034 177.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -67.2 -42.68 83.76 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.899 0.772 . . . . 10.0 111.408 169.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -63.44 -38.64 91.92 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.382 0.992 . . . . 10.0 112.938 174.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 52.1 mt -64.94 -43.61 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 O-C-N 121.129 -0.982 . . . . 10.0 110.392 171.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.4 m -61.16 -41.19 96.32 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.404 0.682 . . . . 10.0 111.398 175.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.9 t -63.27 -43.91 96.6 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.211 1.404 . . . . 10.0 111.915 172.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -61.21 -41.02 96.12 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.099 0.96 . . . . 10.0 112.066 174.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.2 mt -62.37 -51.38 67.81 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.569 0.748 . . . . 10.0 111.683 172.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.9 t-160 -58.94 -47.72 84.07 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 118.325 0.511 . . . . 10.0 111.673 179.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -62.71 -37.15 85.36 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 118.684 -0.674 . . . . 10.0 111.932 175.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.9 m -61.14 -46.2 91.54 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.526 1.057 . . . . 10.0 111.232 176.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.436 HG23 ' HB1' ' A' ' 74' ' ' ALA . 52.4 mt -65.97 -45.73 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 CA-C-N 118.516 0.598 . . . . 10.0 110.591 175.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.8 t -56.47 -51.14 69.57 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.33 0.652 . . . . 10.0 112.077 177.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.93 -39.0 87.79 Favored 'General case' 0 C--N 1.342 0.25 0 N-CA-C 113.871 1.063 . . . . 10.0 113.871 172.11 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -65.47 -45.57 83.19 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.997 1.271 . . . . 10.0 110.704 179.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.8 mt -59.82 -53.12 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-O 117.879 -1.058 . . . . 10.0 109.354 174.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.02 -24.46 67.93 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.795 1.179 . . . . 10.0 114.068 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -91.83 1.98 56.81 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.737 1.215 . . . . 10.0 112.696 174.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -119.32 -30.9 4.8 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.248 1.419 . . . . 10.0 114.321 173.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.5 p -151.44 154.09 8.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 127.673 2.389 . . . . 10.0 109.34 177.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.5 t -108.18 136.72 47.38 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 120.264 -1.523 . . . . 10.0 112.7 -169.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.67 -24.78 3.58 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.035 1.334 . . . . 10.0 113.862 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 pptp? -53.53 -17.94 2.44 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 116.043 1.868 . . . . 10.0 116.043 169.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -122.48 6.82 9.53 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.12 1.368 . . . . 10.0 114.493 177.329 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 73.0 mt -106.8 128.3 61.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 127.332 2.253 . . . . 10.0 109.318 178.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.9 t -69.44 -54.01 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 123.515 0.726 . . . . 10.0 110.523 170.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -164.06 177.04 8.76 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.868 0.867 . . . . 10.0 112.157 174.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.8 pp -131.22 143.22 41.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 125.263 1.425 . . . . 10.0 111.254 171.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -109.95 119.67 40.07 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 107.643 -1.243 . . . . 10.0 107.643 167.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 80.7 mt -131.09 113.64 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 N-CA-C 108.214 -1.032 . . . . 10.0 108.214 173.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 48.9 m -119.79 120.52 36.77 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 125.047 1.339 . . . . 10.0 109.067 177.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.5 m -115.51 124.19 71.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 126.051 1.74 . . . . 10.0 108.445 -178.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 mp -117.83 133.03 56.34 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 124.768 1.227 . . . . 10.0 108.564 -177.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.6 p -139.6 134.66 39.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 123.244 0.618 . . . . 10.0 110.046 177.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -147.43 159.87 43.21 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.471 1.109 . . . . 10.0 110.658 -170.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -129.99 109.04 10.56 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 108.829 -0.804 . . . . 10.0 108.829 172.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.2 80.67 1.95 Allowed 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.517 1.527 . . . . 10.0 108.008 -176.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.1 t70 63.85 -29.61 0.1 Allowed 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 127.06 2.144 . . . . 10.0 113.684 -167.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -132.44 159.84 38.15 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.951 2.501 . . . . 10.0 109.629 169.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -85.06 128.47 34.65 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 124.905 1.282 . . . . 10.0 108.43 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -129.95 150.32 51.29 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.945 0.898 . . . . 10.0 111.168 176.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.7 p -136.0 147.97 27.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 125.46 1.504 . . . . 10.0 108.511 174.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -141.29 146.35 36.66 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 123.849 0.86 . . . . 10.0 111.308 170.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.417 HG21 HD11 ' A' ' 22' ' ' ILE . 21.9 mt -132.25 109.01 14.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 C-N-CA 125.023 1.329 . . . . 10.0 109.84 -169.106 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.1 m -103.86 122.17 44.59 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 108.699 -0.852 . . . . 10.0 108.699 171.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.17 141.2 50.05 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.481 0.712 . . . . 10.0 110.942 172.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.74 147.11 38.64 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.701 1.6 . . . . 10.0 110.348 178.289 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 66.2 tp -128.02 104.33 7.73 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 125.839 1.656 . . . . 10.0 110.59 -170.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -93.17 102.72 15.02 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 108.767 -0.827 . . . . 10.0 108.767 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.4 mt -82.31 151.91 26.53 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.618 1.167 . . . . 10.0 111.674 176.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.435 ' C ' ' H ' ' A' ' 63' ' ' LEU . 32.3 t0 -62.77 147.71 49.03 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.236 0.458 . . . . 10.0 112.236 168.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -64.84 18.5 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 127.642 2.377 . . . . 10.0 113.812 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.435 ' H ' ' C ' ' A' ' 61' ' ' ASP . 94.1 mt -137.52 7.37 2.8 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 128.946 2.898 . . . . 10.0 111.592 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.2 m -115.8 143.31 45.58 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 125.148 1.379 . . . . 10.0 111.697 -172.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -139.7 94.68 2.8 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.308 1.443 . . . . 10.0 108.469 178.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.74 -170.65 3.21 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.879 1.272 . . . . 10.0 111.995 170.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -85.6 143.29 38.23 Favored Pre-proline 0 CA--C 1.546 0.819 0 O-C-N 121.182 -0.949 . . . . 10.0 111.28 -175.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -73.58 58.5 3.86 Favored 'Trans proline' 0 CA--C 1.545 1.056 1 C-N-CA 125.666 4.244 . . . . 10.0 112.647 -177.253 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 169.07 -1.82 0.04 OUTLIER Glycine 0 CA--C 1.538 1.478 0 C-N-CA 126.656 2.074 . . . . 10.0 114.739 -178.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.3 tt -59.47 -26.37 34.1 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 119.171 1.486 . . . . 10.0 114.676 -170.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.4 t -80.7 -50.33 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 124.509 1.124 . . . . 10.0 109.536 174.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.85 -39.56 65.74 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.752 2.021 . . . . 10.0 111.6 178.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -63.68 -38.17 90.09 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.948 0.899 . . . . 10.0 111.162 173.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.436 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -69.64 -41.58 75.42 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.753 0.706 . . . . 10.0 111.4 178.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.501 HG12 ' CE2' ' A' ' 79' ' ' TYR . 2.0 t -67.77 -44.98 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-O 119.179 -0.439 . . . . 10.0 110.528 178.048 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -58.62 -42.93 89.38 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.574 1.15 . . . . 10.0 111.612 172.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.97 -40.48 97.85 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 118.672 -0.68 . . . . 10.0 111.584 174.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.72 -45.14 87.82 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.371 0.987 . . . . 10.0 112.59 173.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.501 ' CE2' HG12 ' A' ' 75' ' ' VAL . 50.4 m-85 -61.24 -43.22 99.23 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.015 0.825 . . . . 10.0 111.869 175.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -72.44 -38.57 68.28 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.838 0.855 . . . . 10.0 112.399 179.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 45.5 t -63.0 -41.96 99.72 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.966 0.906 . . . . 10.0 110.343 174.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 24.1 tp -61.36 -46.96 88.04 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 118.178 -0.915 . . . . 10.0 111.925 172.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -64.21 -41.13 97.17 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 120.168 1.349 . . . . 10.0 112.077 178.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 71.7 m -65.23 -23.03 66.95 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 113.8 1.037 . . . . 10.0 113.8 173.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -81.08 -42.07 21.59 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.474 1.109 . . . . 10.0 112.79 169.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.469 0.494 0 C-N-CA 125.835 1.654 . . . . 10.0 112.881 174.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 80.6 mt . . . . . 0 CA--C 1.534 0.365 0 CA-C-O 121.054 0.454 . . . . 10.0 110.384 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.5 p -103.57 177.04 4.95 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.647 1.579 . . . . 10.0 110.71 176.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -49.06 -37.71 21.91 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.855 0.862 . . . . 10.0 111.597 169.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.49 -46.44 85.29 Favored Glycine 0 CA--C 1.531 1.047 0 CA-C-N 118.491 0.587 . . . . 10.0 113.424 176.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.98 -38.78 86.66 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 117.725 0.762 . . . . 10.0 110.864 178.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.7 mp -64.49 -38.96 92.85 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 114.244 1.201 . . . . 10.0 114.244 169.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -67.13 -40.53 86.8 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 119.326 0.966 . . . . 10.0 111.697 172.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -63.5 -44.17 95.1 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 118.907 0.776 . . . . 10.0 111.654 174.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.2 mt -64.99 -45.41 94.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 O-C-N 121.64 -0.662 . . . . 10.0 110.727 175.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.6 m -63.2 -38.11 89.9 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.886 -0.509 . . . . 10.0 111.443 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.9 m -66.9 -43.91 82.19 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.545 1.138 . . . . 10.0 111.565 173.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -60.11 -41.82 93.41 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.371 0.668 . . . . 10.0 111.74 175.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 81.9 mt -63.96 -49.87 70.85 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 118.135 -0.936 . . . . 10.0 111.779 174.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -55.39 -49.97 70.94 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 119.618 1.099 . . . . 10.0 112.24 173.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -62.99 -38.39 90.99 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 109.806 -0.442 . . . . 10.0 109.806 -176.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.5 m -61.05 -47.27 87.16 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.321 0.648 . . . . 10.0 111.554 176.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.564 HG23 ' HB1' ' A' ' 74' ' ' ALA . 56.7 mt -65.68 -48.29 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 CA-C-N 119.029 0.831 . . . . 10.0 110.553 176.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.8 m -61.26 -44.48 97.17 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.207 0.603 . . . . 10.0 111.961 -177.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -68.41 -38.68 81.49 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 118.671 -0.681 . . . . 10.0 111.837 174.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -60.24 -43.81 95.76 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 119.692 1.133 . . . . 10.0 111.367 173.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 27.4 mt -59.92 -52.5 60.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 C-N-CA 124.272 1.029 . . . . 10.0 109.709 175.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -61.14 -26.43 67.68 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.515 0.932 . . . . 10.0 113.515 177.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -82.38 -17.57 45.06 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 114.006 1.113 . . . . 10.0 114.006 173.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -104.01 -30.72 10.1 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 117.713 -1.136 . . . . 10.0 113.645 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.4 t -143.83 144.29 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.909 1.284 . . . . 10.0 110.063 178.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.4 t -74.53 136.24 42.17 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.67 -0.644 . . . . 10.0 112.677 178.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.44 -25.06 5.69 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.695 0.798 . . . . 10.0 112.394 167.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.3 tttm -65.7 -11.5 45.74 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.613 1.338 . . . . 10.0 114.613 175.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -124.71 9.52 8.3 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.164 0.985 . . . . 10.0 112.744 171.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.6 mt -102.61 126.62 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 C-N-CA 124.711 1.204 . . . . 10.0 108.088 172.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.7 t -70.84 -52.71 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 C-N-CA 124.384 1.073 . . . . 10.0 109.855 171.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -164.17 177.15 8.6 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.987 0.915 . . . . 10.0 112.343 178.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.9 pt -137.61 142.99 35.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.565 1.546 . . . . 10.0 111.632 170.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -113.81 118.67 34.91 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 124.995 1.318 . . . . 10.0 108.492 168.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.9 mt -131.27 121.65 49.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 N-CA-C 108.446 -0.946 . . . . 10.0 108.446 175.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 52.1 m -119.72 119.16 32.85 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 126.178 1.791 . . . . 10.0 108.466 176.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.0 t -115.55 120.65 65.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 N-CA-C 107.935 -1.135 . . . . 10.0 107.935 172.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 mp -117.85 139.26 51.35 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 125.378 1.471 . . . . 10.0 109.246 178.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.3 p -134.33 138.0 50.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 C-N-CA 123.947 0.899 . . . . 10.0 108.725 177.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -145.75 157.53 43.93 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.759 1.223 . . . . 10.0 110.637 -167.047 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -148.54 99.54 3.02 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.578 -0.701 . . . . 10.0 109.998 175.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.3 p -131.03 80.9 1.96 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.248 1.419 . . . . 10.0 109.247 -179.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.2 t70 64.92 -35.33 0.18 Allowed 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 127.491 2.317 . . . . 10.0 113.355 -168.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -108.04 149.57 28.26 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.619 1.968 . . . . 10.0 108.993 168.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.9 tt -85.24 127.51 34.33 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 107.631 -1.248 . . . . 10.0 107.631 171.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.1 tptt -129.89 146.51 51.61 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.492 0.663 . . . . 10.0 111.443 -178.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.8 p -136.17 145.57 30.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 124.735 1.214 . . . . 10.0 108.006 169.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -130.41 136.26 48.86 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 126.01 1.724 . . . . 10.0 108.19 175.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 21.8 mt -132.25 110.17 16.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 N-CA-C 107.41 -1.33 . . . . 10.0 107.41 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.0 t -117.97 122.11 42.39 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 108.436 -0.95 . . . . 10.0 108.436 175.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.28 138.35 49.24 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.073 0.949 . . . . 10.0 110.099 179.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -140.51 143.8 35.63 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.839 1.256 . . . . 10.0 109.818 172.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.12 127.46 43.06 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 125.353 1.461 . . . . 10.0 109.916 -171.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -107.71 102.93 12.11 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 107.994 -1.113 . . . . 10.0 107.994 -175.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.0 mt -86.91 151.94 22.87 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.583 1.153 . . . . 10.0 112.139 178.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -60.48 146.97 42.85 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 115.81 -0.632 . . . . 10.0 111.614 169.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -65.0 -8.13 14.65 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.508 1.299 . . . . 10.0 114.508 -178.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.25 11.99 9.46 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.139 1.776 . . . . 10.0 112.704 177.071 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 78.4 p -59.8 169.74 1.33 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.401 1.88 . . . . 10.0 113.734 169.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -148.67 94.74 2.32 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 122.16 0.981 . . . . 10.0 110.616 177.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -142.63 170.29 15.97 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.791 1.636 . . . . 10.0 112.813 -174.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -85.7 142.32 36.93 Favored Pre-proline 0 CA--C 1.55 0.963 0 N-CA-C 113.254 0.835 . . . . 10.0 113.254 -169.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -74.83 57.02 4.33 Favored 'Trans proline' 0 CA--C 1.547 1.158 1 C-N-CA 125.833 4.356 . . . . 10.0 112.988 -176.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 172.35 -5.24 0.03 OUTLIER Glycine 0 CA--C 1.539 1.547 0 C-N-CA 126.277 1.894 . . . . 10.0 115.18 -176.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.2 tt -55.69 -20.12 7.59 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 C-N-CA 126.667 1.987 . . . . 10.0 115.741 -172.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 57.9 t -78.66 -53.46 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 125.78 1.632 . . . . 10.0 111.188 175.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -53.01 -36.1 60.12 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.179 1.392 . . . . 10.0 111.373 176.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -63.58 -34.64 78.26 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 122.871 0.468 . . . . 10.0 111.516 173.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.564 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -70.6 -41.2 72.6 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-N 119.024 0.829 . . . . 10.0 111.258 178.227 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.49 HG12 ' CE2' ' A' ' 79' ' ' TYR . 1.7 t -67.98 -44.58 84.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 C-N-CA 122.712 0.405 . . . . 10.0 110.378 178.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -59.15 -42.02 89.71 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.749 1.619 . . . . 10.0 111.6 172.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.03 -41.66 99.59 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.658 0.663 . . . . 10.0 111.845 173.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.09 -42.65 99.43 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 119.105 0.866 . . . . 10.0 112.37 172.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.49 ' CE2' HG12 ' A' ' 75' ' ' VAL . 47.3 m-85 -63.59 -43.34 97.24 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.066 0.848 . . . . 10.0 112.323 176.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 73.0 mtt-85 -68.18 -39.26 82.56 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 118.784 0.72 . . . . 10.0 111.686 176.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.0 t -65.84 -29.66 70.16 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-O 117.526 -1.226 . . . . 10.0 112.448 174.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 33.0 tp -69.59 -43.58 72.52 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 119.91 1.232 . . . . 10.0 111.387 172.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -60.33 -41.51 93.73 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 118.26 0.482 . . . . 10.0 110.977 173.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.1 t -71.85 -30.17 65.17 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.303 0.853 . . . . 10.0 113.303 177.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -68.81 -42.23 77.54 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.161 0.985 . . . . 10.0 110.611 174.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.9 mt . . . . . 0 N--CA 1.467 0.415 0 CA-C-N 118.685 0.675 . . . . 10.0 112.389 177.855 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 65.9 mt . . . . . 0 CA--C 1.537 0.462 0 CA-C-O 120.705 0.288 . . . . 10.0 110.751 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.5 t -157.17 -168.05 2.51 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 125.478 1.511 . . . . 10.0 109.977 -176.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -69.04 36.63 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 129.706 3.202 . . . . 10.0 113.349 -177.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.15 -45.26 0.02 OUTLIER Glycine 0 CA--C 1.528 0.85 0 C-N-CA 126.654 2.073 . . . . 10.0 110.729 169.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.14 -35.05 73.79 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.707 1.203 . . . . 10.0 113.104 176.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.1 mt -67.43 -42.45 83.13 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.131 -0.981 . . . . 10.0 110.676 172.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.54 -39.87 92.63 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.01 1.324 . . . . 10.0 111.587 172.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -59.65 -43.96 93.71 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.241 1.016 . . . . 10.0 111.495 171.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.5 mt -64.93 -47.87 86.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-N 119.47 1.032 . . . . 10.0 110.945 176.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.51 -41.2 93.85 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.148 0.886 . . . . 10.0 111.281 175.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.8 t -60.9 -43.75 98.07 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.126 -0.984 . . . . 10.0 112.329 174.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -62.13 -41.67 98.48 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.734 1.214 . . . . 10.0 111.983 175.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.5 mt -65.12 -47.38 77.37 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.204 0.602 . . . . 10.0 111.705 173.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.7 t-160 -59.11 -46.85 87.26 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.434 0.694 . . . . 10.0 111.389 176.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -60.6 -41.81 95.53 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.815 0.846 . . . . 10.0 111.574 173.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.0 m -61.01 -44.43 97.43 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 118.617 0.644 . . . . 10.0 110.727 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.62 HG23 ' HB1' ' A' ' 74' ' ' ALA . 72.0 mt -70.58 -43.98 77.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-O 118.509 -0.757 . . . . 10.0 111.444 176.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.51 -51.86 57.42 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 119.123 0.874 . . . . 10.0 110.92 175.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -71.39 -37.44 71.55 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 114.86 -1.064 . . . . 10.0 111.235 -173.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -58.84 -45.88 89.02 Favored 'General case' 0 C--N 1.345 0.385 0 CA-C-O 119.089 -0.482 . . . . 10.0 110.749 169.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.2 mt -63.58 -48.71 85.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-N 119.005 0.821 . . . . 10.0 110.077 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.31 -11.1 13.3 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.151 1.167 . . . . 10.0 114.151 174.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.3 mtpt -111.13 4.78 19.61 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.757 1.623 . . . . 10.0 112.968 174.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -124.56 -25.55 4.0 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.254 1.422 . . . . 10.0 112.795 177.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 23.9 t -144.24 152.43 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 126.284 1.834 . . . . 10.0 109.189 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.9 t -90.2 136.8 32.82 Favored 'General case' 0 N--CA 1.464 0.227 0 O-C-N 121.167 -0.958 . . . . 10.0 112.672 -178.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.42 -24.4 3.05 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.779 1.232 . . . . 10.0 112.323 168.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.91 -31.88 13.37 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.754 1.222 . . . . 10.0 113.897 168.006 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -121.34 -15.82 8.02 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 114.561 1.319 . . . . 10.0 114.561 -178.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 44.7 mm -70.93 105.77 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 N-CA-C 107.961 -1.125 . . . . 10.0 107.961 169.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.4 t -68.97 -49.08 66.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 N-CA-C 109.141 -0.689 . . . . 10.0 109.141 170.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -161.86 177.06 10.2 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 121.398 0.618 . . . . 10.0 112.191 171.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 pp -134.85 143.13 38.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 125.282 1.433 . . . . 10.0 111.23 170.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -112.25 129.61 56.21 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 105.185 -2.154 . . . . 10.0 105.185 165.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 68.5 mt -131.36 124.59 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 N-CA-C 107.84 -1.171 . . . . 10.0 107.84 174.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.6 t -119.77 119.08 32.58 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.529 0.68 . . . . 10.0 109.891 169.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.7 m -115.87 117.25 54.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 C-N-CA 125.54 1.536 . . . . 10.0 108.582 177.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.3 mt -118.02 139.11 51.67 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 125.354 1.461 . . . . 10.0 109.603 -172.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.4 p -139.57 137.41 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 C-N-CA 123.889 0.876 . . . . 10.0 110.403 178.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -149.05 159.85 43.85 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.185 1.794 . . . . 10.0 109.336 -173.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -141.6 105.16 4.69 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 108.228 -1.027 . . . . 10.0 108.228 174.103 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.3 p -131.17 80.97 1.96 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 126.341 1.856 . . . . 10.0 108.686 -173.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.0 t70 65.97 -33.16 0.18 Allowed 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 127.472 2.309 . . . . 10.0 113.479 -168.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -123.19 159.96 27.55 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 127.774 2.43 . . . . 10.0 108.912 169.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.8 tp -84.59 129.07 34.89 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 106.858 -1.534 . . . . 10.0 106.858 175.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -125.97 136.91 53.55 Favored 'General case' 0 CA--C 1.526 0.031 0 C-N-CA 123.831 0.853 . . . . 10.0 109.551 -178.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.7 p -136.35 142.2 39.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 124.852 1.261 . . . . 10.0 108.297 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -140.76 141.07 34.87 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.197 0.599 . . . . 10.0 110.964 176.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 26.4 mt -132.87 129.4 57.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 C-N-CA 124.297 1.039 . . . . 10.0 111.207 -174.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.1 t -128.85 136.6 50.68 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 107.594 -1.261 . . . . 10.0 107.594 164.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.2 138.21 49.29 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.941 -0.763 . . . . 10.0 108.941 170.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -125.1 135.81 53.04 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 124.953 1.301 . . . . 10.0 108.621 -175.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.3 mt -116.8 104.34 11.23 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 125.055 1.342 . . . . 10.0 109.216 -172.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -97.68 102.87 14.73 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 108.036 -1.098 . . . . 10.0 108.036 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -85.17 151.88 23.78 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.149 1.38 . . . . 10.0 111.44 176.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.41 ' C ' ' H ' ' A' ' 63' ' ' LEU . 45.4 t0 -61.93 147.06 48.05 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.337 0.655 . . . . 10.0 111.603 169.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -71.06 20.0 0.05 OUTLIER 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.875 1.67 . . . . 10.0 113.363 -179.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.41 ' H ' ' C ' ' A' ' 61' ' ' ASP . 14.4 mt -144.75 17.42 1.63 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 129.647 3.179 . . . . 10.0 111.037 -174.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.6 m -154.03 146.15 23.71 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 119.971 -1.705 . . . . 10.0 111.65 172.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -137.76 94.6 2.92 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.462 1.105 . . . . 10.0 109.438 -167.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.91 -176.74 4.06 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 124.821 1.249 . . . . 10.0 111.642 169.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -85.58 144.08 39.54 Favored Pre-proline 0 CA--C 1.546 0.815 0 O-C-N 120.67 -1.268 . . . . 10.0 112.216 -169.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -75.28 60.37 5.62 Favored 'Trans proline' 0 CA--C 1.543 0.96 0 C-N-CA 125.197 3.931 . . . . 10.0 112.702 -175.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.16 -3.43 0.03 OUTLIER Glycine 0 CA--C 1.534 1.272 0 N-CA-C 116.637 1.415 . . . . 10.0 116.637 -178.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 78.0 mt -59.56 -26.15 33.69 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 CA-C-N 120.18 1.99 . . . . 10.0 113.111 -176.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.02 -53.27 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 123.621 0.768 . . . . 10.0 110.826 169.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -58.45 -41.0 84.17 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.738 0.815 . . . . 10.0 110.404 177.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -63.75 -41.38 98.02 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 122.477 0.311 . . . . 10.0 111.277 174.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.62 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -69.06 -44.49 72.5 Favored 'General case' 0 C--N 1.344 0.339 0 O-C-N 121.752 -0.593 . . . . 10.0 111.661 -177.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.453 HG12 ' CE2' ' A' ' 79' ' ' TYR . 22.0 t -76.17 -33.74 24.85 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-O 118.006 -0.997 . . . . 10.0 110.187 -176.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -58.73 -43.04 90.07 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 120.558 1.526 . . . . 10.0 111.481 167.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.01 -41.87 99.68 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 122.016 -0.427 . . . . 10.0 110.966 176.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.58 -44.87 92.81 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 118.713 -0.661 . . . . 10.0 112.746 172.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.453 ' CE2' HG12 ' A' ' 75' ' ' VAL . 29.7 m-85 -63.82 -43.54 95.92 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 119.523 1.056 . . . . 10.0 111.73 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 40.6 mtm180 -72.47 -34.42 67.71 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 118.512 0.596 . . . . 10.0 111.961 178.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.6 t -66.45 -25.84 66.92 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 118.172 -0.918 . . . . 10.0 112.95 169.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 25.2 tp -80.82 -37.73 29.57 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 119.181 0.901 . . . . 10.0 111.903 174.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -59.07 -41.12 87.2 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.544 1.066 . . . . 10.0 110.698 169.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.5 t -62.76 -27.66 69.44 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.118 0.967 . . . . 10.0 113.35 173.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -81.06 -42.26 21.32 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.61 1.164 . . . . 10.0 112.446 174.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.5 mm? . . . . . 0 N--CA 1.472 0.671 0 C-N-CA 125.648 1.579 . . . . 10.0 113.725 178.342 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.1 mt . . . . . 0 CA--C 1.536 0.421 0 N-CA-C 110.423 -0.214 . . . . 10.0 110.423 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.4 t -153.64 -170.31 3.55 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.653 1.181 . . . . 10.0 110.521 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -58.29 24.54 0.0 OUTLIER 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 131.318 3.847 . . . . 10.0 115.967 -178.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.14 -54.9 0.03 OUTLIER Glycine 0 CA--C 1.524 0.6 0 C-N-CA 126.066 1.793 . . . . 10.0 110.004 171.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -67.39 -41.85 84.31 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.778 0.831 . . . . 10.0 112.363 178.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.7 mt -68.93 -34.01 74.66 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.376 -0.828 . . . . 10.0 111.672 170.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -70.15 -35.71 74.23 Favored 'General case' 0 C--O 1.224 -0.247 0 N-CA-C 113.082 0.771 . . . . 10.0 113.082 175.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -54.99 -40.94 70.61 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.229 0.922 . . . . 10.0 110.067 168.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 82.2 mt -67.95 -43.16 85.9 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 CA-C-O 118.611 -0.709 . . . . 10.0 112.164 171.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.7 -42.58 88.92 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 119.9 1.227 . . . . 10.0 111.14 176.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.9 t -67.65 -43.97 79.02 Favored 'General case' 0 N--CA 1.458 -0.07 0 C-N-CA 126.625 1.97 . . . . 10.0 111.24 177.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -59.51 -42.65 92.71 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.679 0.672 . . . . 10.0 111.768 174.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 81.5 mt -67.84 -50.73 55.0 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.16 0.584 . . . . 10.0 111.607 178.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -58.23 -48.47 80.3 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.083 0.553 . . . . 10.0 111.418 176.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -61.24 -38.82 88.05 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 118.898 -0.572 . . . . 10.0 111.82 176.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.5 m -61.19 -47.08 87.79 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.084 0.856 . . . . 10.0 110.846 178.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.9 mt -62.81 -44.69 99.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-N 118.554 0.615 . . . . 10.0 110.413 174.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.5 t -59.67 -51.2 70.83 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.301 0.64 . . . . 10.0 112.538 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -58.45 -38.79 78.26 Favored 'General case' 0 C--N 1.344 0.352 0 N-CA-C 114.265 1.209 . . . . 10.0 114.265 169.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -71.26 -40.43 70.98 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.527 1.058 . . . . 10.0 109.025 -176.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 42.5 mt -59.9 -49.02 85.51 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 124.457 1.103 . . . . 10.0 110.172 171.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -60.93 -24.94 66.41 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.487 1.04 . . . . 10.0 113.604 175.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.9 mttp -97.6 9.38 42.65 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.789 1.636 . . . . 10.0 112.655 175.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -121.79 -39.0 2.67 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.774 1.63 . . . . 10.0 113.534 175.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.5 p -143.84 145.37 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 124.399 1.08 . . . . 10.0 111.679 -175.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.5 t -68.38 112.62 5.35 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.112 0.965 . . . . 10.0 112.058 -177.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.46 -24.87 5.51 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.295 1.438 . . . . 10.0 114.015 170.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -65.38 -8.39 18.32 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.02 1.119 . . . . 10.0 114.02 171.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -117.67 3.18 12.35 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.842 2.057 . . . . 10.0 111.2 176.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.3 mm -100.75 120.95 50.95 Favored 'Isoleucine or valine' 0 C--N 1.34 0.187 0 C-N-CA 125.036 1.334 . . . . 10.0 108.376 177.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.3 t -68.98 -50.44 53.82 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 C-N-CA 124.545 1.138 . . . . 10.0 109.314 171.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -165.34 177.18 7.73 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.852 0.861 . . . . 10.0 112.171 175.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.0 pt -135.89 140.17 44.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 125.036 1.334 . . . . 10.0 111.216 169.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -107.47 121.32 44.37 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 107.311 -1.366 . . . . 10.0 107.311 167.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 79.9 mt -131.09 122.57 51.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 N-CA-C 108.199 -1.038 . . . . 10.0 108.199 172.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 58.3 m -119.79 121.17 38.53 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 125.454 1.502 . . . . 10.0 108.49 176.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.6 t -115.65 123.87 71.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 C-N-CA 124.431 1.092 . . . . 10.0 108.115 171.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 mp -117.73 139.15 51.45 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 125.576 1.55 . . . . 10.0 109.093 175.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.2 p -139.52 131.3 34.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 C-N-CA 123.727 0.811 . . . . 10.0 109.334 175.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -144.68 159.91 42.06 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.186 1.394 . . . . 10.0 110.672 -172.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -141.13 106.27 4.99 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 108.831 -0.803 . . . . 10.0 108.831 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.8 t -131.37 80.88 1.95 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.917 1.287 . . . . 10.0 108.851 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.0 t70 64.79 -44.75 0.32 Allowed 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 127.738 2.415 . . . . 10.0 112.607 -166.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -99.12 153.76 18.65 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.736 2.014 . . . . 10.0 109.674 167.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 57.7 tp -85.32 129.31 34.84 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.42 1.488 . . . . 10.0 109.211 169.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.88 137.23 53.72 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.515 0.726 . . . . 10.0 110.457 174.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.2 p -136.2 132.47 49.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 C-N-CA 125.066 1.346 . . . . 10.0 108.284 172.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -137.3 134.58 36.24 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 124.759 1.224 . . . . 10.0 108.936 -169.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 42.5 mt -132.18 130.44 60.69 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.112 0 N-CA-C 108.172 -1.047 . . . . 10.0 108.172 -171.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.4 m -131.9 130.31 41.45 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 123.664 0.786 . . . . 10.0 109.601 168.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.22 142.01 50.11 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.128 0.971 . . . . 10.0 110.415 176.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -139.51 147.46 41.3 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.018 1.327 . . . . 10.0 110.428 176.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.6 tp -124.47 105.35 9.33 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 126.18 1.792 . . . . 10.0 110.568 -168.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -91.47 102.8 15.47 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 108.512 -0.922 . . . . 10.0 108.512 177.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.3 mt -82.3 151.74 26.61 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 125.676 1.59 . . . . 10.0 111.813 173.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -62.26 133.55 55.3 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 108.42 -0.956 . . . . 10.0 108.42 166.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 pm0 -64.89 -5.85 6.98 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 114.93 1.456 . . . . 10.0 114.93 -175.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.9 tt -92.2 -7.23 48.88 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.407 1.083 . . . . 10.0 113.001 169.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.6 t -105.35 167.89 9.44 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.705 1.139 . . . . 10.0 112.7 179.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -157.58 94.92 1.4 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.921 1.688 . . . . 10.0 109.887 -169.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.93 -173.46 2.98 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.081 1.352 . . . . 10.0 112.42 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -85.3 144.82 41.4 Favored Pre-proline 0 CA--C 1.549 0.905 0 O-C-N 120.631 -1.293 . . . . 10.0 112.002 -168.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -73.64 45.74 1.11 Allowed 'Trans proline' 0 CA--C 1.547 1.161 1 C-N-CA 126.276 4.651 . . . . 10.0 114.803 -169.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.16 9.21 0.02 OUTLIER Glycine 0 CA--C 1.538 1.508 0 C-N-CA 127.097 2.284 . . . . 10.0 114.328 176.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 8.4 tt -66.39 -19.24 25.37 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 CA-C-N 119.014 1.407 . . . . 10.0 114.393 -169.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.3 t -83.65 -50.63 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 124.386 1.074 . . . . 10.0 110.053 171.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -55.52 -41.18 72.79 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.81 1.244 . . . . 10.0 111.659 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -64.04 -29.84 70.95 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.191 0.811 . . . . 10.0 113.191 174.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.24 -36.28 74.39 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 118.453 0.57 . . . . 10.0 111.859 172.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.6 t -70.01 -44.46 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-O 119.053 -0.499 . . . . 10.0 110.34 176.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -58.7 -39.2 80.08 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 118.745 0.702 . . . . 10.0 111.365 169.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.75 -43.54 98.53 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 119.095 0.861 . . . . 10.0 110.824 175.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.98 -42.9 91.11 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.394 0.997 . . . . 10.0 112.655 170.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -65.03 -43.3 92.85 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 118.99 0.814 . . . . 10.0 112.887 176.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -72.54 -29.95 64.01 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 119.438 1.017 . . . . 10.0 112.811 178.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.9 m -66.83 -44.71 80.39 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-O 118.145 -0.931 . . . . 10.0 110.343 168.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 32.2 tp -62.31 -40.22 95.58 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 119.628 1.104 . . . . 10.0 112.803 175.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -58.63 -36.4 74.02 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 125.289 1.435 . . . . 10.0 110.754 176.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.0 m -82.52 -35.69 27.07 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.67 1.188 . . . . 10.0 112.584 175.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -58.9 -39.28 81.01 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 125.579 1.552 . . . . 10.0 113.092 -174.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 N--CA 1.468 0.465 0 N-CA-C 112.891 0.7 . . . . 10.0 112.891 178.25 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 90.7 mt . . . . . 0 CA--C 1.536 0.432 0 CA-C-O 121.275 0.56 . . . . 10.0 111.425 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.8 p -124.78 178.57 5.4 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 126.969 2.108 . . . . 10.0 110.18 178.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -49.42 -36.24 21.63 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.817 0.847 . . . . 10.0 112.465 170.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.2 -41.83 68.33 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-N 118.309 0.504 . . . . 10.0 113.023 177.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -70.06 -39.23 75.79 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 117.891 0.845 . . . . 10.0 111.152 177.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.9 mp -64.09 -38.76 92.23 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 113.574 0.953 . . . . 10.0 113.574 169.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -63.92 -46.02 86.67 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.221 0.918 . . . . 10.0 111.389 170.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -62.21 -39.36 92.52 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 119.147 0.885 . . . . 10.0 113.093 175.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 52.3 mt -64.86 -44.52 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-N 119.542 1.065 . . . . 10.0 110.088 172.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.7 m -63.25 -41.07 99.01 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.066 0.546 . . . . 10.0 111.474 179.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.5 t -63.49 -43.98 95.68 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.409 1.883 . . . . 10.0 112.098 172.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -61.22 -42.46 98.64 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 124.07 0.948 . . . . 10.0 111.755 175.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.8 mt -67.86 -47.47 68.83 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.355 0.662 . . . . 10.0 111.575 176.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -56.02 -49.08 74.68 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.209 0.604 . . . . 10.0 111.487 174.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -60.69 -41.45 95.19 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 122.692 0.397 . . . . 10.0 111.706 176.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.8 m -61.09 -46.28 91.28 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.459 0.704 . . . . 10.0 111.164 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.442 HG23 ' HB1' ' A' ' 74' ' ' ALA . 64.0 mt -63.94 -44.47 97.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 CA-C-N 118.249 0.477 . . . . 10.0 110.502 174.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.7 t -58.92 -51.01 71.85 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.279 0.632 . . . . 10.0 112.221 178.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -59.56 -38.76 81.97 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 113.344 0.868 . . . . 10.0 113.344 171.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -64.17 -45.68 87.33 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 119.677 1.126 . . . . 10.0 110.944 178.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 82.3 mt -62.03 -52.75 56.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 123.627 0.771 . . . . 10.0 109.533 176.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.3 mp -63.76 -9.36 14.05 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 114.636 1.347 . . . . 10.0 114.636 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -115.45 4.23 14.26 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.773 1.229 . . . . 10.0 112.49 177.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.2 ttt-85 -123.39 -15.57 7.11 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.903 1.281 . . . . 10.0 113.62 170.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.2 t -142.02 149.73 19.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 127.706 2.403 . . . . 10.0 107.616 175.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.8 t -97.97 136.2 38.6 Favored 'General case' 0 N--CA 1.464 0.261 0 O-C-N 121.011 -1.056 . . . . 10.0 112.226 -173.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.71 -24.65 3.55 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.711 1.604 . . . . 10.0 114.468 177.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -61.84 -24.74 67.09 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 115.183 1.549 . . . . 10.0 115.183 172.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.9 pm0 -110.12 -16.54 13.77 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.121 1.156 . . . . 10.0 114.121 175.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 37.0 mm -72.88 114.45 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 123.81 0.844 . . . . 10.0 108.911 169.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 19.7 t -72.5 -49.96 38.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 109.01 -0.737 . . . . 10.0 109.01 168.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -163.86 177.0 8.94 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.454 0.702 . . . . 10.0 112.492 172.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.0 pt -137.11 143.03 35.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 C-N-CA 125.525 1.53 . . . . 10.0 109.886 170.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -127.54 119.5 26.16 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 123.774 0.83 . . . . 10.0 109.193 176.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.6 mt -131.16 126.34 58.96 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.129 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 -173.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 90.3 m -119.76 120.39 36.4 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 125.63 1.572 . . . . 10.0 108.241 176.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.1 t -115.51 126.49 73.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 N-CA-C 107.247 -1.39 . . . . 10.0 107.247 173.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 88.3 mt -117.73 135.62 53.91 Favored 'General case' 0 C--N 1.334 -0.096 0 C-N-CA 124.354 1.062 . . . . 10.0 108.674 178.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.2 p -139.79 132.84 35.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 C-N-CA 123.856 0.862 . . . . 10.0 110.447 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -144.8 159.95 42.04 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.716 1.606 . . . . 10.0 110.973 -173.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -137.41 99.77 4.05 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.457 0.703 . . . . 10.0 109.205 174.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.9 p -131.27 80.57 1.94 Allowed 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 108.05 -1.093 . . . . 10.0 108.05 -178.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.0 t70 62.73 -41.17 0.17 Allowed 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 127.31 2.244 . . . . 10.0 113.063 -167.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -98.31 144.42 27.74 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.972 2.509 . . . . 10.0 109.181 168.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.8 tp -85.25 118.91 25.08 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 105.918 -1.882 . . . . 10.0 105.918 167.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.1 tttp -131.14 132.8 45.04 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 121.155 0.503 . . . . 10.0 110.441 -170.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.3 p -136.26 141.94 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 C-N-CA 124.981 1.312 . . . . 10.0 109.33 -177.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -137.02 145.58 44.24 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.374 1.07 . . . . 10.0 110.533 175.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.3 mt -132.41 121.79 46.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 125.419 1.488 . . . . 10.0 108.838 -172.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.6 t -129.2 127.92 42.28 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 124.002 0.921 . . . . 10.0 109.433 174.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.24 139.46 49.66 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.334 1.054 . . . . 10.0 110.693 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -128.02 143.44 51.08 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 125.962 1.705 . . . . 10.0 109.441 176.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 68.2 tp -128.07 104.3 7.7 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.943 1.697 . . . . 10.0 111.632 -166.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -97.63 104.53 16.57 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 121.311 0.577 . . . . 10.0 110.842 -178.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -82.37 152.15 26.34 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 125.187 1.395 . . . . 10.0 111.276 168.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -56.63 147.4 22.61 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 115.056 -0.975 . . . . 10.0 111.845 168.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.89 6.85 0.2 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.82 2.048 . . . . 10.0 114.116 -176.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.33 7.81 9.06 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.309 2.243 . . . . 10.0 112.427 175.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.7 m -132.03 156.39 46.34 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.746 1.618 . . . . 10.0 112.45 -174.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -154.99 94.92 1.69 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.542 1.137 . . . . 10.0 109.628 -171.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.2 169.6 15.79 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.869 1.268 . . . . 10.0 112.727 175.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -85.32 140.43 36.46 Favored Pre-proline 0 CA--C 1.548 0.9 0 O-C-N 120.717 -1.239 . . . . 10.0 111.822 -169.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -72.25 69.14 3.3 Favored 'Trans proline' 0 C--N 1.356 0.928 1 C-N-CA 125.482 4.122 . . . . 10.0 112.152 -176.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.03 -15.95 0.03 OUTLIER Glycine 0 CA--C 1.534 1.235 0 C-N-CA 126.321 1.915 . . . . 10.0 113.952 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.1 mt -61.35 -38.64 80.38 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-N 119.751 1.775 . . . . 10.0 112.828 -177.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 86.8 t -66.85 -50.48 64.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 123.79 0.836 . . . . 10.0 110.174 175.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.42 -45.2 72.93 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.225 1.81 . . . . 10.0 110.964 176.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -63.87 -39.61 94.61 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.936 0.895 . . . . 10.0 111.958 172.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.442 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -66.38 -43.35 86.14 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.873 1.215 . . . . 10.0 111.346 179.612 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 48.3 t -66.71 -45.96 86.88 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 125.497 1.519 . . . . 10.0 110.804 177.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -58.79 -40.48 84.14 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.161 1.384 . . . . 10.0 112.653 170.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.97 -39.36 93.37 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.038 -1.039 . . . . 10.0 111.849 174.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.28 -43.07 98.98 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 118.966 -0.54 . . . . 10.0 111.906 170.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -63.02 -43.18 99.43 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.26 0.936 . . . . 10.0 112.767 175.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 76.9 mtt-85 -63.68 -40.94 98.05 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.109 0.868 . . . . 10.0 111.309 175.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.0 m -63.17 -36.51 83.87 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 123.586 0.754 . . . . 10.0 111.5 175.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.3 tp -70.51 -45.31 65.84 Favored 'General case' 0 C--N 1.34 0.189 0 C-N-CA 123.449 0.7 . . . . 10.0 112.539 174.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -59.01 -41.19 87.11 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.315 0.961 . . . . 10.0 110.835 178.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . 0.311 26.6 m -74.24 -17.79 60.83 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 115.637 1.717 . . . . 10.0 115.637 173.146 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -65.64 -41.11 93.0 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.238 0.926 . . . . 10.0 108.98 165.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 CA--C 1.537 0.458 0 CA-C-O 116.999 -1.476 . . . . 10.0 114.506 174.832 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 74.4 mt . . . . . 0 CA--C 1.533 0.309 0 CA-C-O 121.134 0.492 . . . . 10.0 109.874 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.8 t -130.99 173.87 10.57 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 126.238 1.815 . . . . 10.0 106.765 171.308 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -43.3 -35.88 1.64 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 128.186 2.594 . . . . 10.0 113.624 -173.089 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.28 -57.65 11.18 Favored Glycine 0 CA--C 1.533 1.203 0 CA-C-N 119.041 0.837 . . . . 10.0 114.091 173.394 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.85 -38.9 89.97 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.204 1.402 . . . . 10.0 111.267 178.234 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.0 mt -69.44 -40.76 77.01 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.388 1.075 . . . . 10.0 111.875 176.633 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -59.88 -45.76 91.48 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 119.122 0.874 . . . . 10.0 111.013 169.771 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -62.7 -37.83 88.02 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.048 0.84 . . . . 10.0 112.568 176.196 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.3 mt -64.87 -39.23 84.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 O-C-N 120.549 -1.345 . . . . 10.0 110.78 172.015 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.4 p -59.53 -40.83 88.48 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.31 -0.869 . . . . 10.0 112.08 170.483 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.44 -43.87 97.79 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 125.257 1.423 . . . . 10.0 110.981 174.243 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -58.96 -42.62 90.32 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.674 0.79 . . . . 10.0 111.812 174.583 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 93.6 mt -67.24 -47.66 70.11 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 118.551 0.614 . . . . 10.0 112.219 176.46 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -60.88 -44.16 97.46 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.343 0.657 . . . . 10.0 111.826 178.108 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -63.91 -40.22 95.98 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 118.353 -0.832 . . . . 10.0 111.558 172.121 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.0 m -60.94 -46.67 89.78 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.886 1.221 . . . . 10.0 111.764 -179.402 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.457 HG23 ' HB1' ' A' ' 74' ' ' ALA . 29.6 mt -64.31 -44.29 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-N 118.435 0.561 . . . . 10.0 110.44 174.235 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.0 m -59.36 -50.56 73.51 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.534 0.734 . . . . 10.0 112.055 -179.123 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -58.79 -38.78 79.31 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 114.812 1.412 . . . . 10.0 114.812 170.86 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.516 ' CE1' ' HD2' ' A' ' 29' ' ' ARG . 24.9 t80 -65.25 -45.83 82.99 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.385 0.993 . . . . 10.0 110.431 176.649 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.9 mt -59.94 -51.74 69.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 124.199 1.0 . . . . 10.0 109.724 176.631 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.08 -8.96 13.6 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 114.554 1.316 . . . . 10.0 114.554 177.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.5 mtmm -112.9 8.17 18.54 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.869 1.268 . . . . 10.0 112.736 171.639 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.516 ' HD2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -117.14 -34.79 4.25 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.854 1.662 . . . . 10.0 113.579 170.306 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.2 p -145.84 146.21 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 125.266 1.427 . . . . 10.0 110.045 -175.376 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.8 t -81.15 136.49 35.89 Favored 'General case' 0 N--CA 1.462 0.146 0 O-C-N 121.517 -0.739 . . . . 10.0 111.017 -179.56 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.95 -24.84 3.96 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.788 1.235 . . . . 10.0 112.917 168.774 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -64.52 -15.22 60.54 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 114.771 1.397 . . . . 10.0 114.771 171.251 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -99.78 -12.99 19.45 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.321 1.848 . . . . 10.0 111.431 175.826 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.5 mm -98.08 127.42 50.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 C-N-CA 126.0 1.72 . . . . 10.0 109.462 -173.149 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.5 t -75.34 -52.45 18.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 C-N-CA 123.824 0.85 . . . . 10.0 108.763 168.904 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -165.51 177.15 7.61 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.258 1.023 . . . . 10.0 111.741 173.408 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 21.4 pt -135.84 143.08 37.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 125.039 1.336 . . . . 10.0 111.254 171.885 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -112.44 119.98 40.07 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 108.103 -1.073 . . . . 10.0 108.103 168.652 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.0 mt -131.11 113.23 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 108.458 -0.942 . . . . 10.0 108.458 173.899 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.5 m -119.75 117.75 29.05 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 124.923 1.289 . . . . 10.0 108.503 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.7 m -115.69 122.13 68.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 C-N-CA 125.917 1.687 . . . . 10.0 109.407 -176.596 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -117.73 139.34 51.18 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 125.089 1.356 . . . . 10.0 109.148 -177.831 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.3 p -131.95 140.44 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 123.47 0.708 . . . . 10.0 109.537 176.854 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -145.99 152.79 39.94 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.678 1.191 . . . . 10.0 110.235 -169.07 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -145.16 99.57 3.34 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.215 0.606 . . . . 10.0 109.775 174.804 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 31.0 m -131.18 92.61 3.22 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.883 1.273 . . . . 10.0 107.62 179.818 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.3 t70 63.05 -27.28 0.07 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 127.263 2.225 . . . . 10.0 114.551 -169.226 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.8 159.95 41.11 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 127.702 2.401 . . . . 10.0 110.389 172.21 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 36.3 tp -85.0 129.36 34.81 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.736 2.014 . . . . 10.0 109.894 -178.241 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.6 ttpp -131.03 147.57 52.64 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.525 0.678 . . . . 10.0 110.79 170.821 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.2 p -136.1 135.84 49.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 124.672 1.189 . . . . 10.0 107.998 169.811 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -122.59 138.75 54.49 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 125.468 1.507 . . . . 10.0 108.349 -177.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.6 mt -131.61 110.55 17.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 N-CA-C 107.167 -1.42 . . . . 10.0 107.167 -172.115 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.0 m -109.47 122.14 46.73 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 108.017 -1.105 . . . . 10.0 108.017 173.227 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.19 141.83 50.11 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.405 0.682 . . . . 10.0 110.252 175.048 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.69 145.87 45.23 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 125.91 1.684 . . . . 10.0 109.564 177.158 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 23.5 tp -127.96 104.17 7.65 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 125.424 1.49 . . . . 10.0 109.59 -169.132 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -94.95 102.61 14.45 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 108.07 -1.085 . . . . 10.0 108.07 179.174 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.1 mt -83.63 151.82 25.12 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 126.722 2.009 . . . . 10.0 111.321 174.589 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -68.16 142.29 55.78 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 111.636 0.236 . . . . 10.0 111.636 171.358 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -71.79 34.69 0.06 Allowed 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 129.529 3.132 . . . . 10.0 113.124 -174.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.1 tt -162.2 -23.72 0.05 OUTLIER 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 128.923 2.889 . . . . 10.0 111.761 -169.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 85.9 p -65.93 165.9 12.31 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.805 1.642 . . . . 10.0 113.613 169.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -146.17 94.89 2.53 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.88 1.672 . . . . 10.0 108.837 179.514 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -112.65 177.08 4.76 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.636 1.574 . . . . 10.0 111.61 175.71 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -85.54 146.06 43.42 Favored Pre-proline 0 CA--C 1.547 0.861 0 N-CA-C 113.705 1.002 . . . . 10.0 113.705 -167.643 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -74.8 44.03 1.05 Allowed 'Trans proline' 0 CA--C 1.548 1.189 1 C-N-CA 126.079 4.52 . . . . 10.0 114.408 -170.79 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.07 16.69 0.03 OUTLIER Glycine 0 CA--C 1.538 1.504 0 C-N-CA 126.74 2.114 . . . . 10.0 113.901 174.52 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 8.0 tt -66.05 -29.05 45.57 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 N-CA-C 114.819 1.415 . . . . 10.0 114.819 -167.924 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.6 p -86.18 -35.78 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 123.831 0.852 . . . . 10.0 112.178 169.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.89 -38.73 70.58 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.746 1.218 . . . . 10.0 111.182 174.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -63.85 -39.03 93.24 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 118.655 -0.688 . . . . 10.0 111.988 169.88 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.457 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -65.76 -42.62 90.66 Favored 'General case' 0 C--N 1.343 0.296 0 CA-C-N 119.711 1.141 . . . . 10.0 111.793 178.13 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.403 HG12 ' CE2' ' A' ' 79' ' ' TYR . 2.3 t -68.25 -47.46 77.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-O 118.611 -0.709 . . . . 10.0 110.415 178.168 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -59.55 -37.25 77.92 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.769 1.168 . . . . 10.0 112.847 172.518 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.89 -41.71 99.52 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.924 1.238 . . . . 10.0 111.519 174.123 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.65 97.07 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 118.582 -0.723 . . . . 10.0 111.884 169.766 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.403 ' CE2' HG12 ' A' ' 75' ' ' VAL . 44.1 m-85 -65.04 -43.28 92.88 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 117.782 -1.104 . . . . 10.0 112.866 176.173 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.6 -41.45 96.2 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 120.135 1.334 . . . . 10.0 110.846 174.935 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.8 t -63.13 -48.21 79.45 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-O 118.695 -0.669 . . . . 10.0 110.442 178.306 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -61.21 -44.01 97.96 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.429 1.091 . . . . 10.0 112.112 176.179 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -58.92 -41.03 86.32 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.495 1.518 . . . . 10.0 112.023 177.394 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 51.9 m -79.08 -26.75 42.98 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.911 1.078 . . . . 10.0 113.911 170.852 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -65.64 -42.32 91.58 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 120.703 -1.248 . . . . 10.0 112.317 -176.025 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 N--CA 1.472 0.674 0 CA-C-N 119.528 1.058 . . . . 10.0 111.65 178.783 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 76.6 mt . . . . . 0 CA--C 1.533 0.318 0 CA-C-O 121.223 0.535 . . . . 10.0 111.03 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.9 t -138.82 -168.15 2.36 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.43 1.492 . . . . 10.0 109.883 171.888 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -47.19 -42.02 19.16 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.85 1.66 . . . . 10.0 112.854 -176.794 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.38 -48.52 68.2 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 123.736 0.684 . . . . 10.0 113.599 179.084 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.29 -40.76 94.27 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 118.481 1.14 . . . . 10.0 111.049 178.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mp -65.14 -43.5 91.69 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.732 0.813 . . . . 10.0 112.377 174.854 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -64.16 -37.1 86.24 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.11 0.868 . . . . 10.0 112.313 172.07 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -65.75 -44.05 87.08 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 118.985 0.811 . . . . 10.0 111.965 174.118 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.6 mt -64.92 -48.11 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-N 119.158 0.89 . . . . 10.0 110.201 175.016 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.8 m -59.37 -38.15 79.73 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.944 0.793 . . . . 10.0 112.226 175.732 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.1 m -65.64 -43.55 89.11 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.916 0.886 . . . . 10.0 112.164 172.831 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -58.65 -41.39 85.96 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.488 0.715 . . . . 10.0 111.794 173.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.5 mt -65.77 -48.36 72.08 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.41 0.684 . . . . 10.0 111.829 175.003 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -57.49 -44.77 85.22 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.222 0.609 . . . . 10.0 112.027 175.584 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -64.47 -41.23 96.62 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.452 0.701 . . . . 10.0 111.757 174.59 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.8 m -61.19 -47.2 87.25 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.654 0.782 . . . . 10.0 111.279 179.212 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.417 HG23 ' HB1' ' A' ' 74' ' ' ALA . 30.5 mt -65.16 -40.62 89.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-O 119.338 -0.363 . . . . 10.0 110.561 175.177 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.5 m -59.24 -51.03 71.71 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.355 0.662 . . . . 10.0 111.853 177.493 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.43 -38.83 78.25 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 115.01 1.485 . . . . 10.0 115.01 169.487 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.454 ' CD1' ' HA ' ' A' ' 74' ' ' ALA . 27.7 t80 -66.85 -44.54 80.77 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 119.534 1.061 . . . . 10.0 110.547 179.71 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 53.6 mt -60.07 -53.14 52.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 124.625 1.17 . . . . 10.0 110.039 173.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.05 -14.36 35.27 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.15 1.167 . . . . 10.0 114.15 -179.645 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -114.21 11.09 17.4 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.813 1.245 . . . . 10.0 112.513 175.732 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.8 ttm-85 -129.33 -24.52 2.81 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 115.079 1.511 . . . . 10.0 115.079 173.775 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.8 p -150.03 148.17 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.227 1.411 . . . . 10.0 109.333 -179.017 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 40.3 t -87.37 136.25 33.01 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 116.151 1.908 . . . . 10.0 116.151 -166.707 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.84 -24.48 3.56 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.107 1.363 . . . . 10.0 113.069 166.205 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -70.91 -22.13 62.29 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.398 1.258 . . . . 10.0 114.398 173.179 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -111.38 -29.47 7.79 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.096 1.358 . . . . 10.0 111.697 179.347 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.1 mm -71.89 113.93 9.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 C-N-CA 124.77 1.228 . . . . 10.0 109.037 168.893 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 25.2 t -69.21 -50.71 50.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 C-N-CA 124.093 0.957 . . . . 10.0 109.592 168.689 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -164.05 177.11 8.71 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.474 0.71 . . . . 10.0 112.049 176.764 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 35.0 pt -137.35 143.27 34.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 125.021 1.329 . . . . 10.0 112.255 175.902 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -115.07 107.27 15.12 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 123.985 0.914 . . . . 10.0 109.022 168.375 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.5 mm -103.3 124.96 57.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 N-CA-C 107.208 -1.404 . . . . 10.0 107.208 169.023 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.9 m -116.42 117.67 30.58 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 108.367 -0.975 . . . . 10.0 108.367 175.178 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -115.84 118.41 58.7 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 C-N-CA 126.96 2.104 . . . . 10.0 109.257 -176.283 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -114.55 138.96 49.99 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 124.758 1.223 . . . . 10.0 108.598 178.54 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.7 p -139.5 131.44 34.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 C-N-CA 124.585 1.154 . . . . 10.0 108.67 178.882 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.41 159.97 43.1 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.925 1.29 . . . . 10.0 110.926 -170.36 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -144.38 99.64 3.4 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.733 0.778 . . . . 10.0 109.298 179.383 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -131.27 80.69 1.95 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.705 1.602 . . . . 10.0 108.675 -176.434 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.3 t70 64.71 -44.04 0.31 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 127.245 2.218 . . . . 10.0 112.054 -167.386 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -98.18 155.02 17.36 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.647 1.579 . . . . 10.0 110.219 166.867 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.1 tp -85.23 129.26 34.84 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 106.161 -1.792 . . . . 10.0 106.161 165.829 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -129.38 137.42 50.93 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.403 0.681 . . . . 10.0 109.87 179.796 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.4 t -136.1 130.75 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 N-CA-C 107.619 -1.252 . . . . 10.0 107.619 174.492 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -137.02 131.91 33.5 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 124.352 1.061 . . . . 10.0 108.637 -171.725 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.4 mt -132.09 128.11 58.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 C-N-CA 123.699 0.8 . . . . 10.0 109.073 -170.218 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.8 m -127.65 140.12 52.29 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 125.521 1.528 . . . . 10.0 108.909 176.146 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.34 149.34 52.59 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.295 0.638 . . . . 10.0 112.28 179.458 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.08 141.35 48.16 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.383 1.473 . . . . 10.0 109.129 168.546 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.2 tp -128.01 104.03 7.56 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 125.82 1.648 . . . . 10.0 108.267 -169.502 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -95.17 105.89 17.86 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 -172.475 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -82.27 151.92 26.58 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 125.057 1.343 . . . . 10.0 111.146 171.572 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.424 ' C ' ' H ' ' A' ' 63' ' ' LEU . 24.9 t0 -56.97 147.28 24.33 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.595 -0.73 . . . . 10.0 111.001 167.706 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -66.46 24.25 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 126.436 1.895 . . . . 10.0 113.899 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.424 ' H ' ' C ' ' A' ' 61' ' ' ASP . 0.5 OUTLIER -149.84 14.01 0.82 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 128.603 2.761 . . . . 10.0 111.492 -173.633 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.0 m -153.03 156.43 38.78 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 120.027 -1.671 . . . . 10.0 112.379 175.397 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -145.45 94.79 2.56 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.811 1.245 . . . . 10.0 109.55 -168.121 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.97 167.12 4.03 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.812 0.845 . . . . 10.0 111.926 168.913 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -85.32 144.21 40.38 Favored Pre-proline 0 CA--C 1.546 0.809 0 O-C-N 121.035 -1.041 . . . . 10.0 111.976 -168.802 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -72.49 66.26 3.7 Favored 'Trans proline' 0 C--N 1.356 0.938 1 C-N-CA 125.772 4.315 . . . . 10.0 112.458 -173.45 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 177.35 -20.18 0.04 OUTLIER Glycine 0 CA--C 1.533 1.2 0 C-N-CA 126.396 1.951 . . . . 10.0 113.486 179.912 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 26.6 mt -57.84 -35.98 53.66 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-N 119.695 1.747 . . . . 10.0 112.313 -178.285 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 62.1 t -64.92 -57.95 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.203 1.001 . . . . 10.0 110.0 173.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -53.31 -45.33 68.94 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 126.358 1.863 . . . . 10.0 110.9 -178.47 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -63.86 -34.39 77.83 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.983 0.913 . . . . 10.0 111.644 175.139 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.454 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . . . -70.04 -43.0 72.16 Favored 'General case' 0 C--N 1.342 0.261 0 CA-C-N 119.529 1.059 . . . . 10.0 111.685 178.837 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.422 HG12 ' CE2' ' A' ' 79' ' ' TYR . 2.1 t -72.0 -40.39 67.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-O 119.514 -0.279 . . . . 10.0 111.0 177.699 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -58.85 -37.17 75.88 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.636 1.575 . . . . 10.0 112.319 171.685 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.26 -42.85 99.19 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.192 -0.943 . . . . 10.0 111.911 170.184 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.01 -42.35 99.81 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.005 0.82 . . . . 10.0 112.554 172.232 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.422 ' CE2' HG12 ' A' ' 75' ' ' VAL . 42.7 m-85 -62.39 -43.12 99.58 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.282 0.946 . . . . 10.0 111.851 177.894 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 28.9 mtt85 -71.12 -39.34 72.09 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 119.206 0.912 . . . . 10.0 112.649 173.845 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.3 t -65.86 -24.57 66.9 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 118.036 -0.983 . . . . 10.0 113.056 175.892 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 45.5 tp -77.95 -47.13 19.31 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 124.094 0.958 . . . . 10.0 111.347 172.017 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -66.26 -41.17 90.29 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 118.218 0.463 . . . . 10.0 111.071 179.737 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.5 t -69.68 -18.05 63.53 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 113.656 0.984 . . . . 10.0 113.656 173.66 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -81.33 -42.42 20.58 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.444 1.02 . . . . 10.0 111.297 168.387 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.5 mt . . . . . 0 N--CA 1.469 0.479 0 CA-C-O 118.529 -0.748 . . . . 10.0 112.62 175.697 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.2 mt . . . . . 0 CA--C 1.532 0.266 0 CA-C-O 121.69 0.757 . . . . 10.0 110.292 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.3 t -147.44 -178.25 6.14 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.87 2.068 . . . . 10.0 107.906 -172.252 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -63.52 29.6 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.955 1 C-N-CA 131.853 4.061 . . . . 10.0 114.327 -177.346 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.8 -61.22 0.02 OUTLIER Glycine 0 CA--C 1.528 0.859 0 C-N-CA 128.084 2.754 . . . . 10.0 109.299 172.577 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.09 -39.82 83.36 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 118.128 0.964 . . . . 10.0 112.545 176.545 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.7 mt -65.32 -39.91 93.04 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.489 -0.757 . . . . 10.0 112.181 177.662 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -70.12 -42.12 73.04 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.215 0.606 . . . . 10.0 111.405 175.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -57.14 -44.45 83.41 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.5 0.72 . . . . 10.0 110.926 172.792 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 75.1 mt -64.78 -44.03 96.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 124.244 1.018 . . . . 10.0 111.202 176.394 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.8 t -58.72 -42.98 89.97 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.387 0.54 . . . . 10.0 111.191 174.132 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.6 p -61.87 -42.85 99.56 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.957 0.903 . . . . 10.0 112.536 174.717 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -61.69 -42.59 99.15 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 124.765 1.226 . . . . 10.0 111.421 178.197 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.5 mt -70.19 -45.13 67.28 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 122.842 0.457 . . . . 10.0 111.584 178.07 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -59.75 -48.42 81.73 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.49 0.587 . . . . 10.0 111.593 175.719 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -62.39 -37.41 85.67 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 118.634 -0.698 . . . . 10.0 111.852 175.117 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.6 m -61.04 -44.11 97.88 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.622 1.101 . . . . 10.0 111.293 178.283 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.7 mt -65.55 -45.52 92.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-N 118.086 0.403 . . . . 10.0 110.848 174.461 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.1 t -57.4 -50.3 73.44 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 122.87 0.468 . . . . 10.0 112.173 177.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.51 -38.67 81.55 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 114.8 1.407 . . . . 10.0 114.8 171.913 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -64.15 -45.69 87.35 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 119.91 1.232 . . . . 10.0 110.973 175.098 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.8 mt -61.15 -53.0 55.03 Favored 'Isoleucine or valine' 0 C--N 1.342 0.25 0 C-N-CA 124.13 0.972 . . . . 10.0 109.848 177.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.65 -20.74 65.1 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.872 1.064 . . . . 10.0 113.872 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.6 mtmm -95.91 -0.06 51.34 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.078 0.951 . . . . 10.0 113.466 173.345 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -125.23 -27.88 3.45 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.475 1.287 . . . . 10.0 114.475 -178.162 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.7 p -144.43 153.64 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 125.903 1.681 . . . . 10.0 110.962 170.543 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 45.3 t -76.59 122.69 24.98 Favored 'General case' 0 N--CA 1.463 0.209 0 O-C-N 121.218 -0.926 . . . . 10.0 111.782 178.069 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.46 -24.78 5.4 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.215 1.406 . . . . 10.0 113.18 168.239 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.7 -12.67 61.7 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.856 1.058 . . . . 10.0 113.856 174.027 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -94.82 -10.84 30.18 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.1 1.36 . . . . 10.0 112.035 169.8 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 56.4 mt -94.36 125.85 46.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 125.39 1.476 . . . . 10.0 108.402 -177.534 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.1 t -69.0 -50.99 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 C-N-CA 124.49 1.116 . . . . 10.0 109.118 169.627 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -162.98 174.73 11.95 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.16 0.8 . . . . 10.0 113.16 170.588 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.4 pt -132.26 143.15 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 C-N-CA 125.833 1.653 . . . . 10.0 110.717 170.56 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -121.9 127.0 49.94 Favored 'General case' 0 N--CA 1.462 0.141 0 N-CA-C 108.139 -1.06 . . . . 10.0 108.139 169.708 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 59.7 mt -131.18 126.09 58.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 108.057 -1.09 . . . . 10.0 108.057 -178.534 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 52.9 m -119.67 117.87 29.42 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 125.111 1.364 . . . . 10.0 108.153 -179.633 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.6 t -115.56 122.04 68.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 N-CA-C 107.204 -1.406 . . . . 10.0 107.204 171.787 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.8 mt -117.81 139.26 51.33 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 125.207 1.403 . . . . 10.0 109.062 175.817 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.2 p -135.53 138.37 48.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 C-N-CA 124.274 1.029 . . . . 10.0 109.639 179.664 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -144.48 159.89 42.0 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.597 1.159 . . . . 10.0 110.935 179.41 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -137.05 105.37 5.73 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 106.983 -1.488 . . . . 10.0 106.983 173.861 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.4 t -131.14 84.63 2.2 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.223 1.409 . . . . 10.0 107.547 -174.568 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.2 t70 66.74 -31.43 0.16 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 127.379 2.272 . . . . 10.0 113.121 -166.802 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.44 160.31 40.28 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 127.737 2.415 . . . . 10.0 111.001 169.858 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 53.9 tp -84.82 129.25 34.84 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.828 2.051 . . . . 10.0 110.178 -174.164 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -133.4 147.6 51.77 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.96 1.304 . . . . 10.0 110.332 178.652 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 89.5 t -135.91 142.25 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 C-N-CA 125.625 1.57 . . . . 10.0 108.043 176.413 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -130.3 134.93 47.57 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 125.335 1.454 . . . . 10.0 107.851 176.757 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.0 mt -132.06 131.93 61.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 C-N-CA 123.149 0.58 . . . . 10.0 109.832 -179.636 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.7 m -131.75 137.83 48.36 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.639 1.176 . . . . 10.0 109.552 168.654 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.39 144.44 51.21 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.695 0.798 . . . . 10.0 110.975 175.918 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -129.23 138.71 51.84 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 126.351 1.86 . . . . 10.0 109.373 -177.063 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -123.07 121.28 35.65 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 126.158 1.783 . . . . 10.0 108.245 -173.903 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -114.08 102.76 10.47 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 108.197 -1.038 . . . . 10.0 108.197 174.359 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -82.88 151.97 25.78 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 125.508 1.523 . . . . 10.0 111.232 174.562 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -62.32 147.46 48.15 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.935 168.293 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -64.97 30.8 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 128.61 2.764 . . . . 10.0 113.401 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.1 tt -148.18 -8.37 0.4 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 128.119 2.568 . . . . 10.0 112.916 -169.316 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.03 154.85 47.0 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.643 1.11 . . . . 10.0 112.374 -178.14 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -136.47 94.69 3.04 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.942 1.697 . . . . 10.0 108.364 -174.44 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.68 -175.23 0.65 Allowed 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 125.813 1.645 . . . . 10.0 112.728 170.4 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.04 144.9 42.19 Favored Pre-proline 0 CA--C 1.546 0.809 0 O-C-N 120.64 -1.287 . . . . 10.0 109.693 -169.882 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -73.17 42.19 0.62 Allowed 'Trans proline' 0 CA--C 1.548 1.188 1 C-N-CA 125.658 4.239 . . . . 10.0 113.802 -176.822 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.1 13.9 0.02 OUTLIER Glycine 0 CA--C 1.539 1.546 0 C-N-CA 127.925 2.679 . . . . 10.0 113.552 176.328 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.7 tt -59.99 -36.54 67.79 Favored 'Isoleucine or valine' 0 C--N 1.349 0.57 0 CA-C-N 119.175 1.487 . . . . 10.0 113.555 -168.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.422 ' O ' HG23 ' A' ' 75' ' ' VAL . 7.9 p -86.02 -39.41 13.6 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.277 0 C-N-CA 124.46 1.104 . . . . 10.0 111.266 178.752 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.47 -47.01 73.45 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.872 1.269 . . . . 10.0 110.139 174.405 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.06 -36.88 85.46 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 118.187 -0.911 . . . . 10.0 112.575 171.093 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.46 -44.15 91.98 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 120.359 1.436 . . . . 10.0 112.05 176.777 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.437 HG12 ' CE2' ' A' ' 79' ' ' TYR . 2.1 t -72.19 -41.14 66.76 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 O-C-N 121.962 -0.461 . . . . 10.0 110.94 178.927 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -58.83 -40.28 83.73 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.262 1.025 . . . . 10.0 110.952 171.408 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.07 -37.35 86.85 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 120.744 -1.222 . . . . 10.0 112.377 171.522 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.3 -43.68 93.96 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.506 1.048 . . . . 10.0 112.14 170.366 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.437 ' CE2' HG12 ' A' ' 75' ' ' VAL . 52.8 m-85 -64.7 -43.09 94.6 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.333 0.969 . . . . 10.0 112.79 176.65 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 44.0 mtt180 -70.0 -32.73 71.07 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.706 0.802 . . . . 10.0 112.122 176.1 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 45.7 m -65.51 -43.26 90.63 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 118.952 -0.547 . . . . 10.0 110.517 169.601 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 39.4 tp -62.39 -47.12 85.56 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-O 118.353 -0.832 . . . . 10.0 112.478 179.236 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -65.63 -40.89 93.02 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.64 1.109 . . . . 10.0 111.502 177.022 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.3 m -63.21 -29.82 71.08 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.977 0.911 . . . . 10.0 112.74 175.203 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -81.11 -38.27 27.53 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.433 1.493 . . . . 10.0 112.621 175.846 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.2 mm? . . . . . 0 N--CA 1.474 0.728 0 C-N-CA 124.854 1.262 . . . . 10.0 111.889 170.127 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 mp . . . . . 0 CA--C 1.537 0.467 0 N-CA-C 108.93 -0.767 . . . . 10.0 108.93 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.8 t -144.09 171.85 13.7 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 126.05 1.74 . . . . 10.0 107.82 179.199 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.2 mp0 -50.48 -34.42 24.86 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 119.329 0.968 . . . . 10.0 113.479 -170.525 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.86 -63.23 5.27 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 123.93 0.776 . . . . 10.0 113.603 172.365 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -65.23 -32.86 74.74 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.605 1.162 . . . . 10.0 111.745 -178.728 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 93.1 mt -70.08 -39.69 75.45 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.005 0.922 . . . . 10.0 112.5 173.148 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -65.69 -38.33 88.96 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 119.528 1.058 . . . . 10.0 111.615 170.802 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.57 -43.64 84.71 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 118.852 0.751 . . . . 10.0 112.068 172.204 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.6 mt -65.42 -48.39 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-N 118.471 0.578 . . . . 10.0 110.606 174.524 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.5 m -58.91 -39.89 82.86 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.181 0.9 . . . . 10.0 112.427 178.167 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.2 t -65.97 -43.57 87.49 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.867 1.267 . . . . 10.0 112.167 172.857 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -57.77 -41.67 82.48 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.033 0.833 . . . . 10.0 111.987 173.566 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.6 mt -66.97 -45.15 78.57 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.283 0.633 . . . . 10.0 111.871 176.334 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 -57.36 -49.62 75.58 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.075 0.55 . . . . 10.0 111.225 174.471 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -61.23 -40.0 92.41 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.099 0.559 . . . . 10.0 111.909 176.275 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 95.8 m -61.0 -44.64 97.12 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.321 0.649 . . . . 10.0 111.252 179.473 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.414 HG23 ' HB1' ' A' ' 74' ' ' ALA . 46.0 mt -71.08 -41.0 76.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-O 118.077 -0.963 . . . . 10.0 111.102 177.439 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.2 t -54.96 -51.63 65.53 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 118.601 0.637 . . . . 10.0 111.382 173.255 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.73 -39.26 76.86 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 115.374 1.62 . . . . 10.0 115.374 171.69 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -66.87 -44.49 80.82 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.766 1.166 . . . . 10.0 110.546 179.38 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 85.8 mt -62.32 -50.71 78.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 123.535 0.734 . . . . 10.0 109.978 175.93 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.8 mp -61.27 -24.29 66.29 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.641 0.978 . . . . 10.0 113.641 177.802 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -97.69 8.28 44.95 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.221 1.009 . . . . 10.0 113.605 173.852 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.419 HH11 HG13 ' A' ' 70' ' ' ILE . 51.0 mtt180 -119.69 -34.1 3.85 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.87 1.433 . . . . 10.0 114.87 168.172 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.1 t -136.79 139.21 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.683 1.193 . . . . 10.0 109.377 -177.79 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.0 t -62.99 120.55 11.6 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 121.734 0.778 . . . . 10.0 111.434 179.641 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.71 -25.17 10.26 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.209 1.404 . . . . 10.0 113.048 169.589 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -75.38 -2.13 27.05 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.796 0.838 . . . . 10.0 112.753 175.54 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -121.32 8.92 10.29 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.171 1.388 . . . . 10.0 111.485 169.024 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.0 mt -106.38 128.14 61.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 C-N-CA 125.858 1.663 . . . . 10.0 107.894 173.845 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.4 t -68.89 -52.97 29.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 123.261 0.624 . . . . 10.0 109.323 171.079 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -165.82 177.07 7.43 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.552 0.741 . . . . 10.0 112.792 171.296 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.57 143.0 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 C-N-CA 125.201 1.401 . . . . 10.0 109.753 168.437 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -130.37 120.02 23.64 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 106.981 -1.488 . . . . 10.0 106.981 170.029 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.3 mm -106.93 113.58 43.79 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.244 0 N-CA-C 107.149 -1.426 . . . . 10.0 107.149 175.759 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 45.3 m -87.08 115.76 24.69 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 106.34 -1.726 . . . . 10.0 106.34 179.794 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -115.91 118.5 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 C-N-CA 125.989 1.716 . . . . 10.0 110.691 -177.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 71.0 mt -117.84 139.14 51.52 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 124.627 1.171 . . . . 10.0 109.722 171.099 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.4 p -139.81 131.9 34.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 C-N-CA 123.128 0.571 . . . . 10.0 109.887 174.2 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -146.29 159.09 43.82 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.544 1.537 . . . . 10.0 110.632 -168.365 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -146.34 105.47 3.9 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 108.76 -0.83 . . . . 10.0 108.76 176.409 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 57.1 m -131.84 94.59 3.53 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 120.709 -1.244 . . . . 10.0 110.058 174.087 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.5 t70 63.75 -30.73 0.1 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 127.01 2.124 . . . . 10.0 114.055 -169.307 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.71 160.18 39.62 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 128.398 2.679 . . . . 10.0 110.528 172.208 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 47.6 tp -85.0 129.22 34.83 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.419 1.888 . . . . 10.0 109.941 -176.484 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -122.86 136.44 54.87 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.445 1.098 . . . . 10.0 109.129 173.393 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 10.5 p -131.12 142.43 43.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 C-N-CA 125.268 1.427 . . . . 10.0 107.161 168.748 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -127.01 129.46 48.12 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 108.016 -1.105 . . . . 10.0 108.016 169.809 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.8 mt -124.51 109.2 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.83 0 N-CA-C 103.876 -2.638 . . . . 10.0 103.876 168.521 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.7 m -119.64 135.51 54.78 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 104.994 -2.225 . . . . 10.0 104.994 178.902 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -129.95 138.19 50.73 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 114.079 1.14 . . . . 10.0 114.079 -166.716 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -123.57 121.84 36.65 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.773 1.629 . . . . 10.0 107.977 -176.181 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.1 tt -127.8 113.15 15.58 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 107.587 -1.264 . . . . 10.0 107.587 -174.714 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -109.44 103.63 12.57 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.495 0.718 . . . . 10.0 109.607 -170.524 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.1 mt -82.34 151.9 26.5 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.245 1.418 . . . . 10.0 112.553 179.883 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -61.7 138.4 58.31 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.613 0.765 . . . . 10.0 109.958 168.599 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.1 pm0 -65.0 -8.57 16.5 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 115.026 1.491 . . . . 10.0 115.026 -178.391 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.26 0.77 43.83 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.418 1.487 . . . . 10.0 112.229 170.288 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.0 t -89.84 171.24 9.75 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.046 1.338 . . . . 10.0 112.85 178.16 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -159.05 118.17 2.99 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.518 1.927 . . . . 10.0 107.806 177.573 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -138.46 179.68 6.32 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.218 1.807 . . . . 10.0 111.293 174.892 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -85.18 138.45 36.71 Favored Pre-proline 0 CA--C 1.546 0.822 0 O-C-N 120.904 -1.122 . . . . 10.0 112.555 -166.331 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -74.38 49.0 1.95 Allowed 'Trans proline' 0 CA--C 1.547 1.131 1 C-N-CA 126.26 4.64 . . . . 10.0 114.009 -169.379 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.03 -1.51 0.03 OUTLIER Glycine 0 CA--C 1.536 1.359 0 C-N-CA 125.573 1.558 . . . . 10.0 115.049 178.677 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.419 HG13 HH11 ' A' ' 29' ' ' ARG . 6.1 tt -55.57 -22.65 12.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-N 119.544 1.672 . . . . 10.0 115.485 -171.77 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.405 ' O ' HG23 ' A' ' 75' ' ' VAL . 13.6 p -81.71 -27.49 9.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 C-N-CA 125.05 1.34 . . . . 10.0 113.736 175.23 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -60.21 -43.13 96.21 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 120.218 1.372 . . . . 10.0 110.284 178.448 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -64.02 -30.8 71.85 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.16 0.984 . . . . 10.0 112.302 171.678 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.414 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -67.47 -44.67 78.01 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-N 119.209 0.913 . . . . 10.0 111.421 173.732 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.467 HG12 ' CE2' ' A' ' 79' ' ' TYR . 1.6 t -68.07 -41.51 84.4 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 O-C-N 122.203 -0.311 . . . . 10.0 110.961 177.7 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -58.77 -40.82 85.03 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.604 1.162 . . . . 10.0 111.121 174.062 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.32 -37.94 87.54 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.623 -0.673 . . . . 10.0 112.505 173.032 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.15 -40.21 78.34 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-N 118.863 0.756 . . . . 10.0 112.933 171.812 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.467 ' CE2' HG12 ' A' ' 75' ' ' VAL . 47.3 m-85 -61.63 -43.0 99.67 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.374 0.988 . . . . 10.0 112.029 174.074 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 73.2 mtt-85 -70.48 -35.42 73.26 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.438 -0.788 . . . . 10.0 112.234 175.007 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 46.9 m -63.15 -40.59 98.0 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.907 0.483 . . . . 10.0 111.194 172.155 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 31.9 tp -64.15 -47.04 81.43 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 123.687 0.795 . . . . 10.0 111.449 173.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -63.12 -41.27 99.3 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.467 0.576 . . . . 10.0 111.117 178.534 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.1 t -67.76 -31.94 72.2 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 112.949 0.722 . . . . 10.0 112.949 174.774 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -65.29 -42.14 93.44 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.129 -0.982 . . . . 10.0 111.545 170.143 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 C--N 1.345 0.378 0 CA-C-O 117.406 -1.283 . . . . 10.0 112.345 168.46 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 80.1 mt . . . . . 0 CA--C 1.536 0.407 0 CA-C-O 120.922 0.392 . . . . 10.0 111.119 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.9 t -141.29 -168.53 2.65 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.542 1.537 . . . . 10.0 109.98 173.183 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -48.02 -39.05 18.62 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.464 1.505 . . . . 10.0 113.329 -173.866 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.11 -47.5 64.48 Favored Glycine 0 CA--C 1.53 1.025 0 C-N-CA 123.55 0.595 . . . . 10.0 113.385 178.387 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.48 -39.98 85.25 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 118.107 0.954 . . . . 10.0 110.905 178.749 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mp -65.47 -42.65 92.03 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.106 0.962 . . . . 10.0 111.847 175.145 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -61.13 -46.17 91.67 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 119.058 0.844 . . . . 10.0 111.361 170.574 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -60.58 -44.01 96.68 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.883 0.873 . . . . 10.0 111.91 179.004 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.5 mt -64.89 -42.94 96.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-N 118.507 0.594 . . . . 10.0 110.466 174.411 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.6 p -58.71 -40.83 84.79 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 119.02 0.827 . . . . 10.0 111.981 174.824 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.0 t -68.63 -42.11 78.49 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.778 1.231 . . . . 10.0 111.515 176.941 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -60.17 -42.77 95.67 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 118.718 0.69 . . . . 10.0 111.926 178.929 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -76.89 -37.47 55.41 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 118.084 -0.96 . . . . 10.0 113.181 175.218 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -58.55 -44.34 89.63 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 120.081 1.309 . . . . 10.0 111.924 173.791 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -65.09 -41.73 94.73 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 118.648 -0.691 . . . . 10.0 111.531 171.819 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.5 m -60.91 -47.37 86.72 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.091 0.86 . . . . 10.0 111.155 -179.185 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.2 mt -65.16 -43.38 95.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-N 118.699 0.681 . . . . 10.0 110.463 175.749 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.8 m -57.3 -49.06 77.3 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.313 0.506 . . . . 10.0 111.469 179.365 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -65.25 -38.71 91.2 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.287 0.635 . . . . 10.0 112.031 176.143 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -70.52 -35.39 73.15 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 118.802 0.728 . . . . 10.0 111.466 -179.909 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.5 mt -63.44 -53.07 50.07 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-O 118.1 -0.953 . . . . 10.0 108.74 169.51 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -59.15 -34.54 72.2 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.55 1.068 . . . . 10.0 113.74 -179.447 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.73 -7.38 58.58 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.478 0.918 . . . . 10.0 113.478 174.67 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -113.77 -27.1 7.91 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 116.118 1.896 . . . . 10.0 116.118 176.73 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.06 137.69 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 126.749 2.02 . . . . 10.0 109.282 174.709 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.2 t -75.58 136.3 40.52 Favored 'General case' 0 N--CA 1.464 0.226 0 O-C-N 121.208 -0.932 . . . . 10.0 111.327 -177.043 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.92 -24.85 3.93 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.578 1.151 . . . . 10.0 113.395 169.208 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -64.08 -20.3 65.85 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.823 1.192 . . . . 10.0 113.747 171.745 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -93.09 -11.81 32.02 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.933 1.693 . . . . 10.0 112.125 176.594 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.0 mm -110.28 128.22 66.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 127.27 2.228 . . . . 10.0 110.08 -168.204 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.4 t -70.04 -52.67 28.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 123.819 0.847 . . . . 10.0 110.387 169.578 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -164.3 177.22 8.46 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.46 0.704 . . . . 10.0 112.434 178.844 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 21.2 pt -133.97 143.09 39.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 125.444 1.498 . . . . 10.0 111.818 172.403 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -116.49 118.37 32.48 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 125.052 1.341 . . . . 10.0 108.741 168.703 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.2 mt -131.15 124.57 55.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 N-CA-C 108.882 -0.784 . . . . 10.0 108.882 177.036 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 79.9 m -119.85 128.77 53.99 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 125.497 1.519 . . . . 10.0 109.155 174.555 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.0 t -115.52 124.81 72.39 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 N-CA-C 106.318 -1.734 . . . . 10.0 106.318 168.871 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -117.66 138.94 51.64 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 125.035 1.334 . . . . 10.0 108.899 178.82 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.4 p -139.67 131.14 33.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 C-N-CA 124.438 1.095 . . . . 10.0 108.523 -179.168 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -149.62 160.06 43.81 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.792 0.837 . . . . 10.0 111.301 -177.937 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -139.26 102.8 4.59 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 107.796 -1.186 . . . . 10.0 107.796 -175.678 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.2 t -131.17 80.88 1.96 Allowed 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.119 1.368 . . . . 10.0 108.166 -174.129 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.0 t70 64.64 -37.5 0.21 Allowed 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 127.656 2.382 . . . . 10.0 113.054 -166.854 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -116.2 152.21 34.19 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 127.496 2.318 . . . . 10.0 109.711 169.763 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 54.4 tp -85.3 129.04 34.89 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.777 1.231 . . . . 10.0 109.302 176.179 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -128.43 147.11 50.64 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.68 1.192 . . . . 10.0 110.183 -177.942 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 74.4 t -135.73 141.75 41.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 C-N-CA 125.704 1.602 . . . . 10.0 107.239 173.821 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -129.14 141.84 51.06 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 125.538 1.535 . . . . 10.0 108.355 170.098 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 37.6 mt -132.18 123.11 49.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 N-CA-C 108.099 -1.075 . . . . 10.0 108.099 171.496 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.1 t -126.86 122.57 35.04 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 125.022 1.329 . . . . 10.0 108.381 179.483 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.19 146.59 52.39 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.118 0.967 . . . . 10.0 110.361 -177.734 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -145.85 147.62 32.0 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 125.386 1.474 . . . . 10.0 109.311 171.919 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.9 pp -127.88 143.96 51.1 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-O 122.33 1.062 . . . . 10.0 111.818 172.206 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -106.87 109.58 21.52 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 106.936 -1.505 . . . . 10.0 106.936 -177.879 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.0 mt -82.16 151.71 26.8 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 124.183 0.993 . . . . 10.0 109.984 176.68 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -64.27 147.25 52.86 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 120.396 -0.521 . . . . 10.0 109.657 167.487 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -66.81 14.82 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.191 1.397 . . . . 10.0 114.62 -177.576 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 34.9 tp -131.2 -3.83 3.9 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 128.501 2.72 . . . . 10.0 112.092 178.535 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 53.9 m -95.5 152.49 18.38 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.822 1.249 . . . . 10.0 112.118 -178.355 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -142.11 94.4 2.66 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 123.034 1.397 . . . . 10.0 110.578 -179.503 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.22 -176.6 4.02 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.6 1.56 . . . . 10.0 112.066 172.686 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -85.54 145.54 42.28 Favored Pre-proline 0 CA--C 1.547 0.836 0 O-C-N 121.18 -0.95 . . . . 10.0 112.003 -171.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -74.41 45.84 1.3 Allowed 'Trans proline' 0 CA--C 1.548 1.22 1 C-N-CA 125.825 4.35 . . . . 10.0 113.961 -174.707 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.1 14.98 0.02 OUTLIER Glycine 0 CA--C 1.539 1.547 0 C-N-CA 126.991 2.234 . . . . 10.0 114.255 176.127 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 8.0 tt -69.6 -18.22 22.08 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-N 118.469 1.134 . . . . 10.0 113.654 -170.574 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 79.4 t -78.92 -54.48 11.71 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.292 0 C-N-CA 124.882 1.273 . . . . 10.0 109.245 169.813 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -52.89 -44.18 66.7 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 126.222 1.809 . . . . 10.0 111.559 -176.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -64.04 -33.27 75.36 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.702 0.631 . . . . 10.0 112.702 174.078 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.33 -40.01 67.73 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 122.067 -0.395 . . . . 10.0 111.344 175.925 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.434 HG12 ' CE2' ' A' ' 79' ' ' TYR . 1.7 t -70.55 -41.15 77.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-O 118.6 -0.714 . . . . 10.0 111.005 177.915 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -58.7 -39.57 81.15 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.748 1.158 . . . . 10.0 111.321 170.297 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.89 -37.79 88.32 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.905 0.775 . . . . 10.0 112.039 173.81 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.02 -44.29 85.12 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.326 0.966 . . . . 10.0 113.174 170.663 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.434 ' CE2' HG12 ' A' ' 75' ' ' VAL . 51.1 m-85 -60.92 -43.1 99.07 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.332 0.969 . . . . 10.0 111.688 175.887 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.5 mtt-85 -72.4 -32.83 66.7 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.993 0.738 . . . . 10.0 112.993 176.425 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.2 t -63.09 -43.66 97.9 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.733 0.813 . . . . 10.0 110.75 170.024 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 45.2 tp -61.0 -47.1 88.01 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 118.82 0.736 . . . . 10.0 111.823 174.843 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -65.26 -41.36 94.34 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.285 0.948 . . . . 10.0 111.47 177.472 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.1 t -68.11 -19.22 64.82 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.545 0.943 . . . . 10.0 113.545 175.381 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -81.02 -40.97 23.43 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.46 1.504 . . . . 10.0 111.218 172.562 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.6 mm? . . . . . 0 N--CA 1.469 0.52 0 CA-C-N 119.455 1.025 . . . . 10.0 111.828 168.532 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.0 mt . . . . . 0 CA--C 1.535 0.373 0 CA-C-O 120.767 0.318 . . . . 10.0 110.986 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.6 t -153.16 -169.19 3.25 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.915 1.286 . . . . 10.0 110.392 -179.455 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -59.53 24.51 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 130.666 3.586 . . . . 10.0 115.563 -179.051 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -144.93 -50.91 0.03 OUTLIER Glycine 0 CA--C 1.527 0.815 0 C-N-CA 126.143 1.83 . . . . 10.0 110.743 173.337 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -65.29 -38.48 90.36 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.596 -0.944 . . . . 10.0 112.387 175.739 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.9 mt -69.26 -35.49 76.15 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.695 -0.628 . . . . 10.0 111.607 173.038 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -64.56 -45.3 87.68 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.334 0.654 . . . . 10.0 110.646 173.738 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -59.85 -37.88 80.51 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.815 0.846 . . . . 10.0 112.505 172.893 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.4 mt -64.58 -40.27 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 O-C-N 120.822 -1.174 . . . . 10.0 110.418 172.636 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.3 p -60.3 -38.9 85.06 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.953 0.797 . . . . 10.0 112.327 171.354 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.03 -43.97 93.97 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.334 1.454 . . . . 10.0 111.509 174.815 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -60.98 -42.68 98.85 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.021 0.928 . . . . 10.0 111.52 176.041 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.8 mt -71.26 -46.72 60.34 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.042 0.537 . . . . 10.0 111.83 178.634 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -58.3 -47.97 81.99 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 118.598 0.635 . . . . 10.0 111.401 175.035 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -60.64 -40.85 93.5 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 119.018 -0.515 . . . . 10.0 111.447 175.111 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.6 m -61.07 -46.69 89.63 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 118.745 0.702 . . . . 10.0 111.611 179.409 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.461 HG23 ' HB1' ' A' ' 74' ' ' ALA . 47.4 mt -63.52 -45.85 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-N 118.597 0.635 . . . . 10.0 110.384 174.223 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.2 t -58.71 -50.5 73.65 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.428 0.558 . . . . 10.0 112.112 -179.327 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -63.51 -38.82 92.6 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-O 118.047 -0.978 . . . . 10.0 111.763 174.303 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -62.22 -45.7 92.18 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 120.311 1.414 . . . . 10.0 111.057 175.754 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.5 mt -59.94 -52.95 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-O 118.118 -0.944 . . . . 10.0 108.854 177.849 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.1 mp -60.74 -27.94 68.31 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.495 1.043 . . . . 10.0 113.555 178.066 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -79.79 -8.82 59.49 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.948 1.299 . . . . 10.0 114.092 172.615 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.72 -26.26 4.52 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 114.468 1.284 . . . . 10.0 114.468 -177.205 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.4 p -151.34 142.19 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 127.284 2.234 . . . . 10.0 109.389 -179.257 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.9 t -80.31 136.51 36.43 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 115.13 1.53 . . . . 10.0 115.13 -169.022 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.95 -24.62 3.8 Favored 'General case' 0 CA--C 1.551 0.998 0 O-C-N 120.758 -1.214 . . . . 10.0 112.193 165.679 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -80.44 -10.74 59.74 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 115.198 1.555 . . . . 10.0 115.198 177.768 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -113.62 -3.48 13.6 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.623 1.169 . . . . 10.0 111.67 173.387 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 75.7 mt -95.79 128.15 47.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 C-N-CA 127.01 2.124 . . . . 10.0 109.675 175.942 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.4 t -72.78 -49.98 36.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 124.294 1.038 . . . . 10.0 109.569 168.365 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -164.09 176.48 9.25 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 123.347 0.659 . . . . 10.0 112.417 176.411 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 15.5 pt -137.28 134.13 47.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 125.458 1.503 . . . . 10.0 111.003 171.915 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -103.32 122.77 45.5 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 107.491 -1.3 . . . . 10.0 107.491 168.215 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 85.0 mt -131.21 121.21 48.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 N-CA-C 109.02 -0.733 . . . . 10.0 109.02 174.573 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 85.4 m -119.73 117.83 29.27 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 125.645 1.578 . . . . 10.0 108.298 178.052 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.8 t -115.57 126.13 73.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 N-CA-C 107.52 -1.289 . . . . 10.0 107.52 172.256 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 73.9 mt -117.79 139.08 51.58 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 124.273 1.029 . . . . 10.0 108.947 178.415 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 38.6 t -139.61 136.21 39.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 C-N-CA 124.587 1.155 . . . . 10.0 108.91 -177.308 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -147.03 159.78 43.17 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.647 1.179 . . . . 10.0 110.426 -179.041 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -134.51 103.92 5.88 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.313 0.645 . . . . 10.0 110.054 169.706 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.0 m -131.27 81.02 1.96 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.243 1.417 . . . . 10.0 108.046 -179.047 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.6 t70 64.92 -43.9 0.33 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 127.784 2.434 . . . . 10.0 113.168 -168.143 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -100.4 159.7 14.93 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.567 1.947 . . . . 10.0 110.997 167.585 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.5 tp -85.23 123.86 31.21 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 107.045 -1.465 . . . . 10.0 107.045 168.236 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -123.13 136.85 54.96 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 123.091 0.556 . . . . 10.0 110.094 -179.037 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 97.6 t -135.99 146.48 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 C-N-CA 125.106 1.362 . . . . 10.0 108.743 177.011 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -137.11 144.43 43.05 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 125.517 1.527 . . . . 10.0 109.008 169.555 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 42.5 mt -132.05 128.1 58.86 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.13 0 C-N-CA 124.5 1.12 . . . . 10.0 107.985 -178.522 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.4 m -131.94 131.77 42.94 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 123.676 0.79 . . . . 10.0 109.567 168.145 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.15 143.86 50.94 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.699 0.8 . . . . 10.0 109.444 172.316 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -136.27 143.76 44.42 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.975 1.31 . . . . 10.0 109.32 173.317 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 59.1 tp -127.99 107.85 10.18 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.61 1.564 . . . . 10.0 111.518 -166.599 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -96.14 107.61 19.96 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.497 -0.557 . . . . 10.0 109.497 -178.015 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -82.17 152.11 26.62 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.138 1.375 . . . . 10.0 111.643 172.769 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.91 147.06 24.68 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.931 167.415 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -64.98 -4.07 4.19 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.912 1.449 . . . . 10.0 114.912 -177.483 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 76.8 mt -113.31 8.78 18.14 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 125.816 1.646 . . . . 10.0 112.797 173.854 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.1 m -130.13 146.39 51.77 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.971 1.308 . . . . 10.0 112.593 -171.418 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -147.26 94.47 2.4 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 123.016 1.389 . . . . 10.0 112.329 -169.284 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.97 -177.2 3.77 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.343 1.457 . . . . 10.0 112.606 168.943 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.26 146.18 44.42 Favored Pre-proline 0 CA--C 1.547 0.844 0 O-C-N 120.632 -1.293 . . . . 10.0 112.421 -169.252 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -73.17 54.63 2.77 Favored 'Trans proline' 0 CA--C 1.545 1.056 1 C-N-CA 125.805 4.337 . . . . 10.0 112.757 178.823 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.05 -12.69 0.03 OUTLIER Glycine 0 CA--C 1.535 1.323 0 C-N-CA 125.531 1.539 . . . . 10.0 114.87 -177.846 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.0 tt -57.46 -24.42 21.8 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 N-CA-C 115.114 1.524 . . . . 10.0 115.114 -173.841 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 65.1 t -76.25 -50.44 22.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 125.539 1.536 . . . . 10.0 111.144 172.787 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -56.9 -36.08 69.74 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.509 1.124 . . . . 10.0 111.313 173.892 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -63.58 -41.51 98.36 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 122.926 0.491 . . . . 10.0 110.465 172.004 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.461 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -70.47 -41.46 72.73 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 119.038 0.835 . . . . 10.0 112.218 179.394 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 43.2 t -67.44 -50.88 57.84 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 125.161 1.385 . . . . 10.0 110.458 -179.028 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -58.92 -38.28 78.58 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.631 1.105 . . . . 10.0 111.834 171.056 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.01 -37.36 86.89 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 120.267 1.394 . . . . 10.0 112.411 175.311 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.1 -39.33 93.01 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.596 -0.69 . . . . 10.0 111.727 169.163 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -63.95 -43.04 97.04 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 117.788 -1.101 . . . . 10.0 113.312 173.112 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.1 mmt180 -66.51 -33.05 74.81 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 120.743 1.611 . . . . 10.0 112.236 174.246 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 25.1 m -65.72 -42.75 90.7 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.232 0.613 . . . . 10.0 111.055 172.258 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 23.2 tp -67.21 -45.27 77.36 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.152 0.981 . . . . 10.0 112.85 174.209 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -58.9 -31.46 68.64 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.321 1.848 . . . . 10.0 110.899 176.325 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.7 m -76.87 -45.52 27.97 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.4 1.08 . . . . 10.0 111.886 169.236 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -58.7 -40.92 85.03 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.012 1.325 . . . . 10.0 113.744 -173.525 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 CA--C 1.539 0.539 0 N-CA-C 114.561 1.319 . . . . 10.0 114.561 176.295 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 40.2 mt . . . . . 0 CA--C 1.533 0.292 0 CA-C-O 121.635 0.731 . . . . 10.0 110.024 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.0 t -145.34 -170.58 3.47 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 126.133 1.773 . . . . 10.0 109.841 -175.421 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -63.79 33.18 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 129.878 3.271 . . . . 10.0 114.705 -178.126 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -145.17 -55.72 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 C-N-CA 126.676 2.084 . . . . 10.0 110.347 169.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.93 -43.36 99.0 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 117.896 0.848 . . . . 10.0 111.734 174.194 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.5 mt -69.25 -35.41 76.09 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.313 0.645 . . . . 10.0 111.921 176.717 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -64.74 -46.16 83.41 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 122.946 0.498 . . . . 10.0 110.521 174.94 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -63.24 -37.97 89.32 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.49 0.716 . . . . 10.0 112.312 174.241 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.6 mt -64.38 -41.5 92.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 O-C-N 120.932 -1.105 . . . . 10.0 110.128 173.921 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.2 p -58.93 -41.87 88.36 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.873 0.76 . . . . 10.0 112.025 171.098 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -44.02 97.57 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.819 1.247 . . . . 10.0 111.396 175.862 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -64.52 -42.55 95.7 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.08 0.952 . . . . 10.0 112.009 177.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.2 mt -67.28 -47.92 69.22 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.929 -0.482 . . . . 10.0 111.077 176.798 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.9 t-160 -59.92 -43.73 94.73 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.491 0.716 . . . . 10.0 111.63 177.436 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -60.78 -45.56 93.89 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 118.732 -0.651 . . . . 10.0 111.932 171.602 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.9 m -61.1 -46.77 89.25 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 118.736 0.698 . . . . 10.0 111.231 -175.106 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.433 HG23 ' HB1' ' A' ' 74' ' ' ALA . 52.5 mt -65.01 -44.18 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-N 117.862 0.301 . . . . 10.0 110.407 175.445 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 m -60.67 -50.54 73.1 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.41 0.684 . . . . 10.0 112.338 -178.936 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -61.01 -38.56 86.48 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-O 117.062 -1.447 . . . . 10.0 114.404 168.557 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -60.94 -45.8 93.25 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 121.629 2.013 . . . . 10.0 110.465 176.771 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 63.1 mt -61.74 -51.64 70.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-O 117.87 -1.062 . . . . 10.0 109.965 176.392 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.4 mp -63.94 -18.48 64.29 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 120.558 1.527 . . . . 10.0 114.078 178.514 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -95.57 4.6 53.0 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.333 1.453 . . . . 10.0 112.127 172.714 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -124.22 -30.87 3.39 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.554 1.542 . . . . 10.0 114.5 174.324 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.2 t -145.67 137.91 20.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 126.943 2.097 . . . . 10.0 108.308 -171.121 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 40.5 t -79.22 136.46 37.08 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 122.389 1.09 . . . . 10.0 113.782 -171.749 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.92 -24.66 3.79 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.214 1.006 . . . . 10.0 112.968 167.442 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -87.63 -3.88 58.96 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 115.348 1.61 . . . . 10.0 115.348 178.428 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -117.43 -12.18 10.45 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.734 1.214 . . . . 10.0 112.095 169.837 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.5 mt -78.34 128.05 38.46 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 C-N-CA 125.765 1.626 . . . . 10.0 109.552 169.646 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 38.4 t -74.94 -51.04 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 C-N-CA 124.897 1.279 . . . . 10.0 108.46 167.756 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -163.33 176.52 9.79 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.652 0.781 . . . . 10.0 113.061 170.129 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.0 pt -131.71 142.31 43.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 125.624 1.57 . . . . 10.0 110.003 169.845 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -122.61 112.14 17.63 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 107.969 -1.123 . . . . 10.0 107.969 179.824 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 73.3 mt -129.33 119.12 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 C-N-CA 123.891 0.876 . . . . 10.0 108.758 -175.851 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.6 m -119.65 117.59 28.7 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 125.261 1.424 . . . . 10.0 107.809 177.562 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.1 m -115.84 118.84 60.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 C-N-CA 126.317 1.847 . . . . 10.0 108.856 178.672 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 mp -117.77 139.02 51.65 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.549 1.14 . . . . 10.0 109.344 -179.914 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.3 p -139.73 139.53 37.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 C-N-CA 123.23 0.612 . . . . 10.0 109.558 174.314 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -145.55 159.98 42.32 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.664 1.186 . . . . 10.0 111.088 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -140.76 99.76 3.69 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 107.097 -1.446 . . . . 10.0 107.097 170.432 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.2 m -126.61 80.47 1.94 Allowed 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 105.765 -1.939 . . . . 10.0 105.765 -171.774 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.0 t70 61.46 -36.53 0.11 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 127.453 2.301 . . . . 10.0 113.505 -165.849 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -114.92 147.08 40.45 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 127.869 2.468 . . . . 10.0 109.599 169.493 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 36.4 tp -85.29 129.11 34.88 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.261 1.425 . . . . 10.0 109.759 177.26 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.441 ' HE2' ' HB2' ' A' ' 53' ' ' ASP . 82.0 tttt -133.96 144.08 48.56 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.609 0.719 . . . . 10.0 111.002 171.342 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.9 p -131.07 140.69 47.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 C-N-CA 126.061 1.745 . . . . 10.0 107.23 168.433 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.441 ' HB2' ' HE2' ' A' ' 51' ' ' LYS . 5.8 t0 -140.31 140.35 35.63 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 125.041 1.336 . . . . 10.0 110.071 -175.126 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 16.5 mt -132.46 129.19 58.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.285 -0.87 . . . . 10.0 108.698 -170.083 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 59.5 m -131.58 122.73 26.56 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 123.925 0.89 . . . . 10.0 108.754 169.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.12 138.33 49.45 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.788 0.835 . . . . 10.0 110.166 177.79 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -140.12 145.9 38.17 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.043 1.337 . . . . 10.0 109.303 -177.236 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.5 tp -127.85 126.43 41.61 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 125.06 1.344 . . . . 10.0 109.983 -168.323 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -113.14 102.92 10.84 Favored 'General case' 0 C--N 1.337 0.032 0 C-N-CA 123.585 0.754 . . . . 10.0 109.015 176.802 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 30.6 mt -82.85 151.88 25.84 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.111 1.364 . . . . 10.0 111.901 169.158 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -63.11 142.94 58.19 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 108.22 -1.03 . . . . 10.0 108.22 164.925 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -64.77 -6.14 7.39 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.152 1.167 . . . . 10.0 114.152 -174.242 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.6 mt -93.28 3.33 55.82 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.973 1.309 . . . . 10.0 114.11 171.903 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.99 147.67 48.82 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.776 1.171 . . . . 10.0 112.631 175.544 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -144.82 94.4 2.54 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.66 1.584 . . . . 10.0 110.232 -173.587 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.61 -178.43 6.73 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.895 1.278 . . . . 10.0 112.727 171.527 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -85.42 146.08 43.79 Favored Pre-proline 0 CA--C 1.547 0.848 0 O-C-N 121.199 -0.938 . . . . 10.0 113.083 -168.374 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -73.54 55.96 3.26 Favored 'Trans proline' 0 CA--C 1.545 1.035 1 C-N-CA 126.21 4.607 . . . . 10.0 113.43 -173.728 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 176.6 -3.65 0.03 OUTLIER Glycine 0 CA--C 1.539 1.544 0 C-N-CA 126.895 2.188 . . . . 10.0 114.395 178.154 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.7 tt -66.72 -23.14 30.71 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 CA-C-N 119.24 1.52 . . . . 10.0 114.119 -169.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.6 t -79.39 -48.71 20.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 124.263 1.025 . . . . 10.0 109.408 171.409 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.9 -40.73 70.1 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.387 1.875 . . . . 10.0 111.772 179.508 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -63.98 -33.16 75.1 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 118.593 -0.718 . . . . 10.0 112.427 171.668 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.433 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -66.51 -42.74 86.87 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 119.781 1.173 . . . . 10.0 110.827 175.075 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.445 HG12 ' CE2' ' A' ' 79' ' ' TYR . 2.4 t -66.18 -47.77 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 C-N-CA 122.976 0.51 . . . . 10.0 110.364 178.408 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -58.9 -41.48 87.29 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.658 0.783 . . . . 10.0 112.0 172.693 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.81 -39.39 94.12 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.163 -0.961 . . . . 10.0 111.377 175.556 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.15 -41.85 99.35 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 118.908 0.777 . . . . 10.0 112.333 170.243 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.445 ' CE2' HG12 ' A' ' 75' ' ' VAL . 45.6 m-85 -63.66 -43.2 97.45 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 119.21 0.914 . . . . 10.0 112.792 175.736 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -64.76 -41.68 95.71 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.727 1.149 . . . . 10.0 110.656 173.888 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 38.7 m -64.91 -31.51 72.77 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-O 117.95 -1.024 . . . . 10.0 112.41 -179.769 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -63.17 -47.19 83.67 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 119.878 1.217 . . . . 10.0 111.469 176.36 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.99 -41.24 87.09 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 118.783 -0.627 . . . . 10.0 111.538 178.093 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . 0.361 58.6 m -77.61 -17.74 57.5 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 115.106 1.521 . . . . 10.0 115.106 176.649 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -65.76 -36.43 83.54 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.055 -1.028 . . . . 10.0 109.242 164.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.5 mt . . . . . 0 N--CA 1.469 0.477 0 CA-C-O 118.036 -0.983 . . . . 10.0 112.202 171.952 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 CA--C 1.53 0.205 0 CA-C-O 121.313 0.578 . . . . 10.0 110.532 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.5 t -141.68 -169.41 2.89 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.102 1.361 . . . . 10.0 110.188 177.125 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -48.47 -36.37 14.9 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.55 1.54 . . . . 10.0 113.159 -177.093 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.44 -48.84 60.51 Favored Glycine 0 CA--C 1.533 1.182 0 CA-C-O 119.372 -0.682 . . . . 10.0 113.661 176.95 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.98 -42.75 89.44 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.696 1.248 . . . . 10.0 110.907 177.052 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.4 mp -65.08 -37.9 89.02 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 118.448 -0.787 . . . . 10.0 112.624 176.772 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -66.73 -45.8 77.51 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 119.338 0.972 . . . . 10.0 111.625 169.413 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -59.57 -44.3 93.33 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 119.6 1.091 . . . . 10.0 111.408 178.87 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.0 mt -65.12 -46.53 90.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 C-N-CA 123.416 0.686 . . . . 10.0 110.466 175.181 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.3 m -64.64 -38.39 90.83 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.382 -0.824 . . . . 10.0 111.406 -178.28 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.0 t -67.58 -43.45 80.52 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.439 1.495 . . . . 10.0 112.019 172.7 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -56.83 -42.51 79.77 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 119.158 0.89 . . . . 10.0 111.459 172.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.3 mt -69.37 -47.22 64.92 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 118.395 -0.812 . . . . 10.0 111.915 176.911 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -56.45 -49.92 73.2 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.669 1.122 . . . . 10.0 111.732 174.32 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -63.03 -34.93 78.62 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 118.961 -0.542 . . . . 10.0 111.41 178.94 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.8 m -61.1 -46.08 92.07 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 118.961 0.8 . . . . 10.0 111.368 174.771 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.521 HG23 ' HB1' ' A' ' 74' ' ' ALA . 52.5 mt -66.03 -48.29 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-N 118.532 0.606 . . . . 10.0 110.689 175.934 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.5 m -60.71 -45.3 94.75 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.188 0.595 . . . . 10.0 111.83 -178.408 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.04 -38.85 90.28 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 114.088 1.144 . . . . 10.0 114.088 169.029 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -62.88 -45.81 90.81 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 120.345 1.43 . . . . 10.0 110.268 176.176 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.1 mt -60.11 -53.04 54.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-O 118.04 -0.981 . . . . 10.0 109.62 177.844 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.4 mp -62.74 -13.75 36.38 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 114.264 1.209 . . . . 10.0 114.264 179.308 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -107.5 4.68 26.38 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.218 1.407 . . . . 10.0 112.157 175.576 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.8 tpt85 -125.05 -29.39 3.33 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.043 1.737 . . . . 10.0 113.305 -179.917 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.7 t -143.16 144.09 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 128.298 2.639 . . . . 10.0 108.655 170.341 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.7 t -73.06 136.46 44.97 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 120.623 -1.298 . . . . 10.0 112.298 177.307 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.89 -24.81 3.87 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.631 1.572 . . . . 10.0 113.323 168.631 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -63.26 -43.13 98.85 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.906 1.23 . . . . 10.0 111.224 169.812 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -73.13 -12.78 61.02 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.222 1.409 . . . . 10.0 112.232 -176.365 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 86.1 mt -105.71 128.11 60.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 C-N-CA 128.119 2.568 . . . . 10.0 109.272 -175.055 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.1 t -73.32 -50.33 31.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 123.542 0.737 . . . . 10.0 109.542 169.294 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -162.11 174.66 12.66 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.399 0.679 . . . . 10.0 112.688 172.058 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.0 pt -133.67 143.04 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 125.273 1.429 . . . . 10.0 110.563 172.554 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -123.38 117.58 25.52 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 108.432 -0.951 . . . . 10.0 108.432 177.689 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.9 mt -131.14 121.75 49.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 108.538 -0.912 . . . . 10.0 108.538 -174.284 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.2 m -119.84 126.87 52.03 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 124.88 1.272 . . . . 10.0 109.1 176.459 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 67.9 t -115.53 130.12 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.122 0 N-CA-C 107.042 -1.466 . . . . 10.0 107.042 169.32 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 72.2 mt -117.68 139.27 51.25 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 124.923 1.289 . . . . 10.0 108.398 172.898 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.8 p -139.1 131.07 36.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 108.421 -0.955 . . . . 10.0 108.421 178.155 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -139.19 155.48 47.79 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.926 1.29 . . . . 10.0 110.415 -169.778 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -142.35 102.34 4.07 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 108.784 -0.821 . . . . 10.0 108.784 175.791 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.2 m -131.7 89.4 2.69 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 120.93 -1.106 . . . . 10.0 109.435 173.914 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.7 t70 63.7 -28.94 0.09 Allowed 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 127.093 2.157 . . . . 10.0 114.205 -168.942 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -129.72 154.65 46.97 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 127.249 2.22 . . . . 10.0 110.149 171.168 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 53.1 tp -85.37 129.21 34.86 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.308 1.843 . . . . 10.0 110.048 177.799 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 56.1 tttm -131.77 142.2 49.69 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.809 1.243 . . . . 10.0 110.406 -178.295 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 86.9 t -136.15 141.24 42.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 125.424 1.49 . . . . 10.0 108.482 176.773 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -137.39 137.45 38.85 Favored 'General case' 0 C--O 1.233 0.237 0 C-N-CA 125.35 1.46 . . . . 10.0 107.871 179.631 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.419 HG21 HD11 ' A' ' 22' ' ' ILE . 30.6 mt -132.1 131.61 61.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 N-CA-C 109.21 -0.663 . . . . 10.0 109.21 179.062 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 65.5 m -131.81 133.16 44.39 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 124.377 1.071 . . . . 10.0 110.303 169.169 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.22 147.54 52.61 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.42 1.088 . . . . 10.0 110.824 177.657 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.93 147.48 48.12 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 125.828 1.651 . . . . 10.0 111.239 -176.64 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -127.84 104.38 7.79 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 125.849 1.66 . . . . 10.0 109.004 -169.865 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -103.57 102.85 12.74 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.095 -1.076 . . . . 10.0 108.095 175.671 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 39.3 mt -88.64 152.1 22.04 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.898 2.079 . . . . 10.0 111.775 -175.267 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -59.46 147.09 37.86 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 121.061 0.458 . . . . 10.0 111.07 169.436 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -67.75 7.6 0.48 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 126.388 1.875 . . . . 10.0 113.323 -177.499 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 93.0 mt -129.37 3.39 5.13 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 127.749 2.42 . . . . 10.0 111.964 178.533 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.6 m -88.83 162.9 15.92 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.943 1.297 . . . . 10.0 111.635 175.339 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -158.01 110.7 2.38 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.298 1.439 . . . . 10.0 107.662 -177.479 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -131.95 -178.47 4.9 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 126.503 1.921 . . . . 10.0 112.631 -172.219 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -85.51 143.71 39.12 Favored Pre-proline 0 CA--C 1.546 0.825 0 O-C-N 120.904 -1.122 . . . . 10.0 112.572 -168.724 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -74.48 46.21 1.38 Allowed 'Trans proline' 0 CA--C 1.547 1.17 1 C-N-CA 125.865 4.377 . . . . 10.0 113.696 -176.257 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.09 13.61 0.02 OUTLIER Glycine 0 CA--C 1.539 1.588 0 C-N-CA 127.067 2.27 . . . . 10.0 114.291 177.007 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.0 tt -63.83 -25.42 38.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-N 118.67 1.235 . . . . 10.0 114.064 -169.252 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.446 ' O ' HG23 ' A' ' 75' ' ' VAL . 7.3 p -86.07 -38.4 12.65 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.184 0 C-N-CA 124.56 1.144 . . . . 10.0 112.259 175.022 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -54.45 -36.5 64.14 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.753 1.221 . . . . 10.0 111.002 174.752 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -63.72 -40.78 97.61 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.584 0.754 . . . . 10.0 111.75 171.793 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.521 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -68.2 -43.18 78.62 Favored 'General case' 0 C--N 1.345 0.375 0 CA-C-N 118.65 0.659 . . . . 10.0 111.672 177.515 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.467 HG12 ' CE2' ' A' ' 79' ' ' TYR . 1.8 t -67.91 -45.26 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 O-C-N 122.043 -0.411 . . . . 10.0 110.508 -179.839 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -58.9 -37.33 76.37 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.114 0.966 . . . . 10.0 112.147 170.85 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.456 ' N ' HH21 ' A' ' 80' ' ' ARG . . . -62.94 -40.57 98.05 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 120.105 -1.622 . . . . 10.0 111.772 172.64 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.09 -43.12 88.2 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 118.524 -0.751 . . . . 10.0 112.67 171.364 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.467 ' CE2' HG12 ' A' ' 75' ' ' VAL . 42.7 m-85 -62.35 -43.03 99.77 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 120.189 1.359 . . . . 10.0 112.541 177.298 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.456 HH21 ' N ' ' A' ' 77' ' ' ALA . 87.5 mtm180 -67.87 -32.17 72.49 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.429 0.692 . . . . 10.0 111.906 174.103 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 40.0 m -70.03 -34.9 73.87 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.318 0.647 . . . . 10.0 112.081 172.589 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -66.34 -46.57 76.35 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.27 1.028 . . . . 10.0 111.012 173.049 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -58.84 -41.27 86.53 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 122.088 -0.382 . . . . 10.0 111.443 173.048 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.2 m -65.55 -36.25 83.25 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.174 0.989 . . . . 10.0 112.304 175.334 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -65.65 -42.2 91.69 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.269 -0.894 . . . . 10.0 111.614 176.545 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.5 mm? . . . . . 0 N--CA 1.47 0.527 0 CA-C-N 119.109 0.868 . . . . 10.0 112.486 175.048 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.9 mt . . . . . 0 CA--C 1.529 0.145 0 CA-C-O 121.575 0.702 . . . . 10.0 110.959 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.9 t -140.15 -168.19 2.48 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.214 1.406 . . . . 10.0 110.172 179.521 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -47.35 -37.5 11.23 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.874 1.67 . . . . 10.0 113.411 -175.791 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.33 -50.71 36.73 Favored Glycine 0 CA--C 1.533 1.177 0 CA-C-N 118.93 0.786 . . . . 10.0 113.6 178.237 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.87 -43.54 98.53 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 118.294 1.047 . . . . 10.0 110.244 178.602 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.3 mp -65.68 -42.56 91.12 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.58 1.152 . . . . 10.0 112.437 177.733 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -61.59 -46.23 90.75 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.398 0.999 . . . . 10.0 111.173 171.55 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -61.77 -44.16 97.44 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 118.77 0.714 . . . . 10.0 111.788 -179.289 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 84.7 mt -65.01 -42.87 95.82 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 122.945 0.498 . . . . 10.0 110.597 174.5 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.0 p -58.93 -38.08 78.14 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 118.974 0.806 . . . . 10.0 112.713 173.744 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.4 t -70.92 -42.15 70.26 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 124.804 1.242 . . . . 10.0 111.175 177.576 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -58.8 -42.63 89.55 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.881 0.764 . . . . 10.0 111.475 172.763 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.8 mt -66.9 -50.19 63.22 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 118.776 -0.63 . . . . 10.0 111.781 176.543 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -57.72 -49.87 75.11 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 119.226 0.921 . . . . 10.0 111.673 177.403 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -61.48 -37.53 83.96 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 118.615 -0.707 . . . . 10.0 111.115 178.528 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.2 m -61.11 -45.82 93.12 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 118.986 0.812 . . . . 10.0 111.832 175.721 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.646 HG23 ' HB1' ' A' ' 74' ' ' ALA . 59.5 mt -64.53 -47.55 88.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 118.878 0.763 . . . . 10.0 110.528 175.556 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.7 m -62.34 -42.77 99.66 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 118.436 0.562 . . . . 10.0 112.315 -178.909 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -65.49 -38.59 90.19 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.483 0.713 . . . . 10.0 111.913 172.085 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -61.32 -45.54 94.01 Favored 'General case' 0 C--N 1.345 0.371 0 CA-C-N 119.046 0.839 . . . . 10.0 111.061 173.232 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 63.6 mt -59.9 -47.69 90.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 118.902 0.774 . . . . 10.0 109.69 177.157 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.79 -26.99 67.67 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.749 1.018 . . . . 10.0 113.749 174.27 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.7 7.25 42.56 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.929 1.085 . . . . 10.0 113.929 171.533 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.82 -38.49 2.73 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.692 1.197 . . . . 10.0 114.151 178.758 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.9 t -148.18 153.27 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 125.682 1.593 . . . . 10.0 109.693 -177.065 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.5 t -84.67 136.49 33.72 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 115.151 1.537 . . . . 10.0 115.151 -169.287 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.02 -24.58 3.88 Favored 'General case' 0 CA--C 1.55 0.944 0 O-C-N 120.921 -1.112 . . . . 10.0 112.929 166.571 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -71.07 -10.22 59.38 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.839 1.422 . . . . 10.0 114.839 174.761 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -129.69 -21.52 3.08 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.532 1.533 . . . . 10.0 112.94 178.436 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.6 mm -70.86 110.74 4.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 N-CA-C 106.745 -1.576 . . . . 10.0 106.745 168.441 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.4 t -68.88 -47.41 76.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 C-N-CA 124.479 1.112 . . . . 10.0 109.718 175.434 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -162.58 177.02 9.8 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.062 0.945 . . . . 10.0 111.558 174.16 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.2 pt -141.07 138.01 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 125.131 1.372 . . . . 10.0 111.475 173.189 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -105.37 123.94 48.72 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 107.375 -1.342 . . . . 10.0 107.375 167.35 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 72.3 mt -131.11 122.6 51.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 N-CA-C 108.142 -1.058 . . . . 10.0 108.142 173.399 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 90.1 m -119.85 126.59 51.35 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 124.698 1.199 . . . . 10.0 109.174 175.752 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 66.8 t -115.45 129.29 71.98 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.097 0 N-CA-C 106.734 -1.58 . . . . 10.0 106.734 169.202 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 74.6 mt -117.68 139.29 51.22 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 125.092 1.357 . . . . 10.0 108.15 174.75 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.6 p -135.33 131.95 52.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 107.41 -1.329 . . . . 10.0 107.41 174.832 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -143.11 156.63 44.84 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.477 1.111 . . . . 10.0 110.488 -167.0 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -137.51 112.4 8.98 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 109.521 -0.548 . . . . 10.0 109.521 -178.065 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 99.4 m -131.84 85.83 2.28 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.153 -0.967 . . . . 10.0 109.481 171.309 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.4 t70 64.63 -35.08 0.17 Allowed 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 127.293 2.237 . . . . 10.0 113.82 -168.593 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -120.78 157.48 29.62 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 127.987 2.515 . . . . 10.0 110.566 170.877 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -85.32 129.13 34.87 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 126.438 1.895 . . . . 10.0 109.506 178.785 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 tmmt? -131.34 150.22 52.24 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.304 1.042 . . . . 10.0 110.647 177.608 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.5 t -132.27 145.05 35.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 125.383 1.473 . . . . 10.0 108.542 177.735 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.48 138.55 49.03 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.936 1.694 . . . . 10.0 107.638 175.382 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.416 HG21 HD11 ' A' ' 22' ' ' ILE . 24.9 mt -132.06 130.68 61.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 N-CA-C 109.025 -0.732 . . . . 10.0 109.025 178.271 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.8 m -131.97 138.24 48.22 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 123.772 0.829 . . . . 10.0 110.703 168.505 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.23 151.19 51.72 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.201 1.0 . . . . 10.0 109.975 172.111 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -141.66 146.05 35.68 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.798 1.239 . . . . 10.0 110.433 173.654 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -120.01 105.76 11.35 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 126.677 1.991 . . . . 10.0 110.324 -167.66 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -92.04 102.92 15.48 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 108.436 -0.95 . . . . 10.0 108.436 174.389 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.8 mt -92.64 151.81 19.9 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 124.813 1.245 . . . . 10.0 111.038 172.052 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -58.95 147.02 35.84 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 121.241 0.543 . . . . 10.0 111.306 169.025 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -69.28 9.85 0.39 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.258 1.423 . . . . 10.0 114.506 -174.745 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.1 mt -124.47 1.3 8.31 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.673 1.989 . . . . 10.0 112.808 179.938 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.4 164.8 12.31 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.298 0.954 . . . . 10.0 112.309 172.258 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -155.44 107.44 2.64 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.156 1.782 . . . . 10.0 107.265 -171.688 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -130.03 -177.36 4.27 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.534 1.934 . . . . 10.0 111.621 -174.673 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -85.23 135.13 39.5 Favored Pre-proline 0 CA--C 1.548 0.89 0 O-C-N 120.719 -1.238 . . . . 10.0 112.394 -166.714 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -74.99 62.4 5.85 Favored 'Trans proline' 0 C--N 1.356 0.943 1 C-N-CA 125.8 4.334 . . . . 10.0 112.786 -169.889 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.1 -8.73 0.03 OUTLIER Glycine 0 CA--C 1.533 1.179 0 C-N-CA 125.013 1.292 . . . . 10.0 115.211 -177.242 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 31.6 mt -53.84 -31.19 20.18 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 CA-C-N 120.051 1.925 . . . . 10.0 113.999 -178.84 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.6 t -60.76 -60.59 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 123.786 0.835 . . . . 10.0 110.029 171.173 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -57.12 -37.36 71.87 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 125.318 1.447 . . . . 10.0 111.311 179.066 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.64 -37.43 87.33 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 118.741 -0.647 . . . . 10.0 110.837 174.392 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.646 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -67.77 -41.75 82.77 Favored 'General case' 0 C--N 1.343 0.322 0 CA-C-N 119.263 0.938 . . . . 10.0 111.151 -179.875 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.569 HG12 ' CE2' ' A' ' 79' ' ' TYR . 2.9 t -72.91 -43.05 60.27 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 122.598 0.359 . . . . 10.0 111.139 179.695 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -58.82 -39.2 80.49 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.28 1.832 . . . . 10.0 112.304 171.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.59 -44.69 93.32 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.357 -0.839 . . . . 10.0 111.553 170.509 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.71 -43.49 94.1 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.913 0.778 . . . . 10.0 112.217 173.24 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.569 ' CE2' HG12 ' A' ' 75' ' ' VAL . 37.6 m-85 -62.39 -43.23 99.31 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.847 0.749 . . . . 10.0 112.341 177.226 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 23.1 mtt85 -71.44 -27.07 63.02 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.325 0.966 . . . . 10.0 113.077 173.7 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.7 p -63.19 -42.23 99.31 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 118.811 0.732 . . . . 10.0 110.897 169.486 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.2 tp -67.97 -44.13 77.42 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.075 0.95 . . . . 10.0 111.187 178.668 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -58.8 -41.23 86.28 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.302 1.041 . . . . 10.0 111.343 173.572 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.1 m -72.39 -28.89 63.29 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.025 0.93 . . . . 10.0 112.84 176.204 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -79.16 -42.43 26.16 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.931 0.892 . . . . 10.0 111.618 -177.461 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.2 mm? . . . . . 0 N--CA 1.471 0.618 0 CA-C-N 119.719 1.145 . . . . 10.0 113.307 178.635 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.2 mt . . . . . 0 CA--C 1.534 0.336 0 CA-C-O 121.193 0.52 . . . . 10.0 110.207 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.3 t -149.75 -169.08 3.28 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 126.093 1.757 . . . . 10.0 108.734 -174.894 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.53 21.78 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 129.929 3.292 . . . . 10.0 114.604 -169.299 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -136.07 -56.21 0.06 OUTLIER Glycine 0 CA--C 1.528 0.875 0 C-N-CA 127.289 2.376 . . . . 10.0 110.331 173.808 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -61.74 -41.19 97.34 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.172 0.986 . . . . 10.0 112.727 175.172 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.8 mt -68.57 -36.3 78.56 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.687 -0.633 . . . . 10.0 111.741 176.722 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -67.7 -42.27 82.26 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.24 0.616 . . . . 10.0 111.328 173.661 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -58.74 -44.06 90.4 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.921 0.888 . . . . 10.0 111.408 173.496 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 79.1 mt -67.14 -45.14 87.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-O 118.62 -0.705 . . . . 10.0 111.643 176.187 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.3 m -59.32 -38.17 79.6 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 120.1 1.318 . . . . 10.0 111.731 172.37 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.7 t -66.06 -43.83 86.31 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.178 -0.952 . . . . 10.0 112.025 174.922 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -61.06 -41.12 96.0 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.179 0.992 . . . . 10.0 111.79 174.745 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.5 mt -63.85 -48.72 75.64 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.859 0.864 . . . . 10.0 111.737 174.104 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -58.51 -48.87 79.41 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 118.42 0.554 . . . . 10.0 111.405 176.002 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.15 -37.48 85.38 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-O 118.539 -0.743 . . . . 10.0 111.482 176.65 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.7 m -60.99 -47.17 87.7 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.156 0.889 . . . . 10.0 110.771 178.786 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.586 HG23 ' HB1' ' A' ' 74' ' ' ALA . 65.8 mt -65.66 -43.38 93.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-N 118.382 0.537 . . . . 10.0 110.722 176.206 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.4 t -58.39 -50.92 71.96 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 122.916 0.486 . . . . 10.0 111.956 176.928 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.16 -39.0 77.7 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 112.941 0.719 . . . . 10.0 112.941 171.706 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.488 ' CE1' ' HD3' ' A' ' 29' ' ' ARG . 31.4 t80 -66.82 -45.77 77.25 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.657 0.662 . . . . 10.0 110.946 -179.522 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 87.5 mt -62.34 -47.51 92.71 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 C-N-CA 124.078 0.951 . . . . 10.0 110.361 176.502 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.09 -9.11 19.9 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.694 0.998 . . . . 10.0 113.694 176.713 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.8 mtmt -117.65 18.45 14.18 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.034 1.734 . . . . 10.0 112.087 170.859 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.488 ' HD3' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -120.6 -41.3 2.59 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 127.451 2.3 . . . . 10.0 113.215 168.893 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.4 t -144.25 152.1 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.599 1.56 . . . . 10.0 109.757 -174.08 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.1 t -80.74 136.51 36.17 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 115.336 1.606 . . . . 10.0 115.336 -169.928 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.62 -24.62 3.41 Favored 'General case' 0 CA--C 1.551 0.981 0 O-C-N 120.776 -1.202 . . . . 10.0 112.603 165.314 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -74.82 -11.32 60.12 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 115.043 1.498 . . . . 10.0 115.043 175.073 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -127.22 -22.28 3.76 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.547 1.139 . . . . 10.0 112.522 179.737 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.1 mm -70.88 116.79 13.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 N-CA-C 106.566 -1.642 . . . . 10.0 106.566 167.056 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.2 t -71.29 -49.25 49.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 C-N-CA 123.707 0.803 . . . . 10.0 109.61 170.244 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -163.64 176.12 9.95 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.776 0.831 . . . . 10.0 112.183 171.082 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.7 pt -134.78 142.97 38.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 124.861 1.264 . . . . 10.0 110.564 171.738 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -127.51 116.47 20.44 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 123.992 0.917 . . . . 10.0 108.665 179.39 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.2 mt -131.14 120.06 45.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 N-CA-C 108.671 -0.863 . . . . 10.0 108.671 -173.697 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 41.3 m -119.86 117.24 27.62 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 123.884 0.874 . . . . 10.0 108.728 171.303 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -116.18 117.94 57.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 C-N-CA 125.107 1.363 . . . . 10.0 111.459 172.599 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 mp -116.93 139.24 50.88 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 125.833 1.653 . . . . 10.0 109.775 -171.753 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.7 p -135.47 140.97 43.68 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 124.172 0.989 . . . . 10.0 110.187 -176.821 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -140.14 159.56 41.92 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 127.181 2.192 . . . . 10.0 110.7 -173.036 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -134.09 98.96 4.27 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 105.286 -2.116 . . . . 10.0 105.286 164.815 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 92.3 m -131.62 80.55 1.93 Allowed 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 106.208 -1.775 . . . . 10.0 106.208 -173.329 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.5 t70 60.95 -43.89 0.12 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 127.517 2.327 . . . . 10.0 112.965 -165.735 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -98.31 154.01 18.12 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.823 2.049 . . . . 10.0 109.963 168.037 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.5 tp -85.27 122.34 29.31 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 105.201 -2.148 . . . . 10.0 105.201 165.561 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -135.88 137.36 41.36 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.93 0.395 . . . . 10.0 111.15 -175.781 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.7 p -136.15 137.93 47.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 C-N-CA 125.131 1.372 . . . . 10.0 108.29 177.139 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -136.82 146.31 45.5 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 124.09 0.956 . . . . 10.0 110.905 178.049 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.442 HG21 HD11 ' A' ' 22' ' ' ILE . 17.1 mt -132.0 117.21 32.58 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 124.787 1.235 . . . . 10.0 109.843 -166.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.3 t -116.18 125.01 51.71 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 124.359 1.064 . . . . 10.0 108.972 174.592 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.22 141.83 50.08 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.39 1.076 . . . . 10.0 110.693 178.905 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.35 147.51 52.58 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 125.989 1.716 . . . . 10.0 111.137 -176.622 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -126.8 104.4 8.04 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 125.692 1.597 . . . . 10.0 108.746 -169.947 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -103.13 117.46 34.6 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.324 -0.991 . . . . 10.0 108.324 175.89 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 16.8 mt -122.47 151.81 40.93 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 127.231 2.212 . . . . 10.0 110.704 -168.336 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -66.77 146.91 53.94 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 112.66 0.615 . . . . 10.0 112.66 179.099 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.07 -10.79 43.64 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.317 1.447 . . . . 10.0 114.565 -177.869 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.9 mp -104.01 0.09 29.47 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 119.768 1.167 . . . . 10.0 112.444 170.835 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 61.7 p -76.84 169.73 17.78 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.93 0.892 . . . . 10.0 113.264 177.284 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -158.56 106.28 1.89 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.647 1.579 . . . . 10.0 107.993 179.231 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -131.36 173.9 10.61 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.18 1.792 . . . . 10.0 111.713 -177.681 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -85.32 139.73 36.31 Favored Pre-proline 0 CA--C 1.547 0.833 0 O-C-N 121.147 -0.971 . . . . 10.0 113.442 -166.15 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -75.17 48.75 2.12 Favored 'Trans proline' 0 CA--C 1.545 1.058 1 C-N-CA 126.265 4.643 . . . . 10.0 113.416 -172.138 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.05 3.89 0.02 OUTLIER Glycine 0 CA--C 1.537 1.421 0 C-N-CA 127.1 2.286 . . . . 10.0 114.436 -177.677 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.5 tt -63.08 -20.44 25.84 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 CA-C-N 119.792 1.796 . . . . 10.0 114.328 -174.599 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.8 p -86.0 -32.73 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 C-N-CA 124.665 1.186 . . . . 10.0 112.695 169.773 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.24 -36.09 76.96 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 119.095 0.861 . . . . 10.0 110.158 171.538 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -63.64 -40.75 97.66 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 119.059 -0.496 . . . . 10.0 110.54 171.246 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.586 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -68.1 -43.8 77.68 Favored 'General case' 0 C--N 1.343 0.324 0 CA-C-N 119.35 0.977 . . . . 10.0 112.416 -177.359 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.536 HG12 ' CE2' ' A' ' 79' ' ' TYR . 9.2 t -72.21 -40.73 66.18 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-O 118.873 -0.584 . . . . 10.0 110.517 -179.849 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -58.68 -42.81 89.39 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.64 1.176 . . . . 10.0 111.754 170.114 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.23 -40.08 96.44 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 118.745 -0.645 . . . . 10.0 111.968 173.912 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.8 -44.8 95.2 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.26 0.936 . . . . 10.0 112.315 172.637 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.536 ' CE2' HG12 ' A' ' 75' ' ' VAL . 47.6 m-85 -61.65 -43.14 99.42 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 118.953 0.797 . . . . 10.0 112.242 176.103 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 75.8 mtt-85 -72.18 -36.02 69.13 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.693 -0.63 . . . . 10.0 112.348 177.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 42.2 t -63.01 -43.5 98.57 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 123.831 0.852 . . . . 10.0 109.958 173.383 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 46.3 tp -66.15 -47.61 73.46 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-O 118.478 -0.772 . . . . 10.0 112.594 -178.911 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -73.3 -28.15 61.93 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 119.431 1.014 . . . . 10.0 110.765 -178.698 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.2 m -63.98 -50.21 69.44 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.222 0.464 . . . . 10.0 110.644 169.25 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -60.68 -36.45 78.78 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.206 1.003 . . . . 10.0 112.505 177.858 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 CA--C 1.542 0.66 0 CA-C-O 117.52 -1.229 . . . . 10.0 113.796 173.219 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ptt? . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 119.21 -0.424 . . . . 10.0 110.938 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -151.43 37.58 0.6 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.61 1.164 . . . . 10.0 111.828 -170.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -114.38 -153.78 0.53 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.596 1.558 . . . . 10.0 111.885 -173.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -120.18 169.94 9.78 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 126.819 2.048 . . . . 10.0 111.146 -175.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -67.39 113.91 5.65 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 108.221 -1.029 . . . . 10.0 108.221 175.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 86.3 mt -74.48 106.89 6.29 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.162 0.506 . . . . 10.0 110.916 -168.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.5 t -128.91 -171.22 2.42 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.215 1.406 . . . . 10.0 109.54 170.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -42.94 -45.25 4.94 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.922 1.689 . . . . 10.0 112.825 -175.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.46 -56.66 22.07 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 123.719 0.676 . . . . 10.0 113.245 178.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.44 -42.22 98.67 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.333 1.053 . . . . 10.0 110.299 -177.235 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.3 mt -67.93 -40.28 83.37 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.561 1.144 . . . . 10.0 110.74 -178.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . 0.308 6.3 m-20 -70.32 -35.36 73.58 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 115.51 1.67 . . . . 10.0 115.51 168.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -54.89 -42.14 71.77 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 121.135 1.789 . . . . 10.0 110.348 169.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 83.5 mt -68.18 -44.62 84.09 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 CA-C-O 118.288 -0.863 . . . . 10.0 112.091 171.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 p -58.81 -40.63 84.64 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 120.34 1.427 . . . . 10.0 111.595 177.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.6 t -68.6 -43.95 75.38 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.648 1.579 . . . . 10.0 111.688 175.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -60.01 -42.37 94.16 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 118.692 0.678 . . . . 10.0 111.845 174.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.0 mt -65.61 -46.9 77.56 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.814 0.846 . . . . 10.0 111.805 175.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -58.31 -49.05 78.54 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 118.742 0.701 . . . . 10.0 111.904 176.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.69 -40.29 91.66 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-O 118.714 -0.66 . . . . 10.0 111.192 174.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.3 m -60.93 -45.3 95.22 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 118.843 0.747 . . . . 10.0 110.81 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.532 HG23 ' HB1' ' A' ' 74' ' ' ALA . 57.3 mt -66.15 -46.45 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 118.934 0.788 . . . . 10.0 111.072 174.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.3 t -60.57 -50.46 73.43 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.623 0.647 . . . . 10.0 112.085 -177.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -63.79 -35.27 80.05 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.098 0.959 . . . . 10.0 111.865 175.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.466 ' CE1' ' HD3' ' A' ' 29' ' ' ARG . 22.9 t80 -65.42 -45.0 85.59 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.439 -0.788 . . . . 10.0 111.949 172.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.6 mt -60.05 -45.08 96.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 O-C-N 121.029 -1.044 . . . . 10.0 109.348 174.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.6 mp -64.07 -27.41 69.08 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.794 1.035 . . . . 10.0 113.794 175.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.8 ptmt -86.85 6.61 30.95 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 119.935 1.243 . . . . 10.0 113.381 169.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.466 ' HD3' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -113.7 -48.84 2.91 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 126.148 1.779 . . . . 10.0 113.316 174.109 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.5 p -151.56 146.07 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 125.021 1.329 . . . . 10.0 110.107 -178.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.0 t -68.36 136.96 54.18 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 114.403 1.26 . . . . 10.0 114.403 -169.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.62 -24.43 3.28 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.433 1.493 . . . . 10.0 112.891 168.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -91.92 -9.91 41.46 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 114.577 1.325 . . . . 10.0 114.577 175.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -92.69 -20.26 20.99 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 125.41 1.484 . . . . 10.0 111.383 169.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.9 mt -79.54 128.41 38.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 130.99 3.716 . . . . 10.0 110.891 172.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 23.4 t -74.06 -50.62 27.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 123.968 0.907 . . . . 10.0 108.937 166.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -162.45 174.56 12.55 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.144 0.794 . . . . 10.0 113.144 170.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.4 pt -132.16 141.87 44.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 125.35 1.46 . . . . 10.0 110.156 170.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -127.43 111.1 13.46 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 124.231 1.012 . . . . 10.0 108.352 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.4 mt -129.44 118.86 46.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 109.046 -0.724 . . . . 10.0 109.046 -173.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.0 m -119.77 117.98 29.65 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 124.751 1.221 . . . . 10.0 108.378 175.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 68.0 t -106.58 125.57 62.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 N-CA-C 107.224 -1.399 . . . . 10.0 107.224 173.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.1 mp -117.67 139.02 51.58 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.494 1.118 . . . . 10.0 108.533 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.6 p -139.66 134.87 39.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 108.444 -0.947 . . . . 10.0 108.444 176.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -143.86 157.42 44.38 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 124.146 0.978 . . . . 10.0 110.281 -169.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -139.87 108.19 5.82 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 109.589 -0.522 . . . . 10.0 109.589 177.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.36 80.58 1.94 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.819 1.248 . . . . 10.0 108.9 178.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.0 t70 62.74 -43.89 0.19 Allowed 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 127.409 2.283 . . . . 10.0 112.79 -167.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -106.56 159.68 16.0 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 127.018 2.127 . . . . 10.0 111.097 167.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 tt -93.05 129.39 39.01 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.575 1.95 . . . . 10.0 109.894 -175.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -121.57 141.37 51.15 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.369 0.668 . . . . 10.0 111.605 173.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.8 t -136.05 124.88 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 N-CA-C 106.408 -1.701 . . . . 10.0 106.408 172.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -133.23 125.52 29.55 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 124.561 1.145 . . . . 10.0 108.226 -173.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.487 HG21 HD11 ' A' ' 22' ' ' ILE . 37.9 mt -120.93 123.73 70.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 N-CA-C 108.259 -1.015 . . . . 10.0 108.259 -172.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 27.7 t -122.93 122.2 38.01 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 124.52 1.128 . . . . 10.0 108.904 176.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.25 139.91 49.74 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.024 0.93 . . . . 10.0 110.635 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -129.19 139.19 51.99 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 126.555 1.942 . . . . 10.0 109.278 175.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -128.13 112.73 14.88 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 125.631 1.572 . . . . 10.0 107.84 -172.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -113.96 102.89 10.62 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 108.649 -0.871 . . . . 10.0 108.649 -175.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.3 mt -85.12 152.07 23.66 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 126.105 1.762 . . . . 10.0 111.391 176.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -58.25 147.32 31.01 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.873 0.694 . . . . 10.0 112.873 171.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -68.5 41.12 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 128.77 2.828 . . . . 10.0 112.718 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.0 tt -160.58 -32.92 0.05 Allowed 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 128.71 2.804 . . . . 10.0 110.973 -169.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.5 m -64.96 162.1 17.22 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.738 1.615 . . . . 10.0 112.099 173.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -155.55 116.43 3.87 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.679 1.592 . . . . 10.0 106.867 -177.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -137.75 -176.58 4.47 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.713 2.005 . . . . 10.0 112.065 -173.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -85.29 143.81 39.83 Favored Pre-proline 0 CA--C 1.547 0.862 0 O-C-N 120.949 -1.094 . . . . 10.0 113.158 -166.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -74.74 51.51 2.71 Favored 'Trans proline' 0 CA--C 1.545 1.064 1 C-N-CA 126.079 4.519 . . . . 10.0 113.208 -174.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.01 -3.08 0.03 OUTLIER Glycine 0 CA--C 1.537 1.417 0 C-N-CA 127.323 2.392 . . . . 10.0 114.348 -177.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.9 tt -57.63 -25.81 25.7 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 N-CA-C 115.17 1.544 . . . . 10.0 115.17 -169.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.8 t -80.08 -51.33 16.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 124.975 1.31 . . . . 10.0 110.411 174.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -54.33 -36.08 63.39 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 125.614 1.566 . . . . 10.0 111.519 177.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -63.38 -36.48 83.85 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 122.843 0.457 . . . . 10.0 110.444 175.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.532 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -70.85 -41.87 70.89 Favored 'General case' 0 C--N 1.342 0.246 0 CA-C-N 119.083 0.856 . . . . 10.0 111.349 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.456 HG12 ' CE2' ' A' ' 79' ' ' TYR . 1.3 t -69.24 -45.99 78.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-O 119.264 -0.398 . . . . 10.0 110.087 -179.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -58.7 -42.48 88.71 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.121 1.368 . . . . 10.0 111.865 172.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.51 -41.07 98.53 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.691 0.678 . . . . 10.0 111.1 175.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.38 -44.79 93.73 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 118.135 -0.936 . . . . 10.0 112.168 172.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.456 ' CE2' HG12 ' A' ' 75' ' ' VAL . 45.5 m-85 -65.33 -43.82 89.71 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.949 1.249 . . . . 10.0 112.032 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 45.9 mtm180 -72.79 -35.18 67.34 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.192 0.812 . . . . 10.0 113.192 178.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 21.9 t -67.11 -32.56 73.78 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 118.03 -0.986 . . . . 10.0 111.888 171.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -67.41 -46.21 73.87 Favored 'General case' 0 C--N 1.34 0.184 0 CA-C-N 119.275 0.943 . . . . 10.0 110.652 171.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -59.02 -41.17 87.12 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 118.588 -0.72 . . . . 10.0 111.901 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.1 t -78.9 -32.74 45.86 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.313 0.961 . . . . 10.0 113.053 175.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -58.85 -39.17 80.51 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 119.697 -1.877 . . . . 10.0 111.425 169.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.47 -22.0 61.87 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 116.713 -1.613 . . . . 10.0 114.002 170.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . 0.252 0.4 OUTLIER -58.41 -28.36 65.15 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 121.466 1.939 . . . . 10.0 110.813 168.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -67.77 -4.65 34.34 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 124.282 0.944 . . . . 10.0 115.3 170.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -134.79 -31.56 1.03 Allowed 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 119.118 1.459 . . . . 10.0 114.614 -178.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -117.21 -17.14 10.29 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.871 1.668 . . . . 10.0 113.249 -174.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 . . . . . 0 C--O 1.251 1.182 0 CA-C-O 115.41 -2.233 . . . . 10.0 112.482 -171.614 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.9 ptp . . . . . 0 N--CA 1.483 1.202 0 CA-C-O 118.186 -0.911 . . . . 10.0 110.009 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m 47.71 37.02 6.28 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 114.936 1.458 . . . . 10.0 114.936 170.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 67.1 mt -61.53 164.89 5.36 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.753 1.621 . . . . 10.0 112.754 -174.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -118.34 170.81 8.6 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.958 1.303 . . . . 10.0 112.745 -168.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -66.12 114.82 5.54 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 106.878 -1.527 . . . . 10.0 106.878 169.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 78.0 mt -74.55 114.46 12.99 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.255 0.55 . . . . 10.0 110.935 -168.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.0 t -135.35 -168.72 2.24 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.323 1.449 . . . . 10.0 110.158 175.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -47.12 -43.75 20.93 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.423 1.489 . . . . 10.0 112.626 -174.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.45 -49.13 76.73 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 123.543 0.592 . . . . 10.0 113.58 178.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.41 -42.29 88.04 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 117.86 0.83 . . . . 10.0 111.001 177.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.3 mp -62.04 -40.58 96.21 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.021 0.929 . . . . 10.0 113.136 175.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -66.2 -46.06 78.61 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 119.355 0.98 . . . . 10.0 111.734 170.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -44.33 96.95 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 118.544 0.611 . . . . 10.0 111.73 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 75.1 mt -66.95 -42.43 88.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 123.743 0.817 . . . . 10.0 110.206 177.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.8 m -61.66 -40.68 95.77 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.698 -0.626 . . . . 10.0 111.346 177.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 t -68.51 -40.69 80.73 Favored 'General case' 0 C--N 1.341 0.233 0 CA-C-O 118.168 -0.92 . . . . 10.0 112.377 172.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -59.57 -41.2 89.66 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 119.657 1.117 . . . . 10.0 111.509 176.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.1 mt -66.81 -49.43 65.84 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.704 0.801 . . . . 10.0 111.856 174.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -56.34 -48.85 75.91 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.767 0.712 . . . . 10.0 111.583 174.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -62.15 -37.79 86.54 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.658 0.783 . . . . 10.0 111.524 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 95.1 m -61.11 -46.49 90.37 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.291 0.95 . . . . 10.0 111.173 176.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.517 HG23 ' HB1' ' A' ' 74' ' ' ALA . 39.7 mt -65.93 -43.79 92.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-N 118.314 0.506 . . . . 10.0 110.607 175.232 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.4 t -57.22 -50.96 71.23 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.73 0.812 . . . . 10.0 111.953 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.26 -38.87 77.77 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 114.862 1.43 . . . . 10.0 114.862 169.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -67.33 -45.5 76.25 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.574 1.079 . . . . 10.0 110.484 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 60.3 mt -60.02 -49.66 83.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 124.064 0.946 . . . . 10.0 110.363 174.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.07 -21.27 64.81 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 114.101 1.148 . . . . 10.0 114.101 177.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -101.63 10.65 39.97 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.86 1.264 . . . . 10.0 112.728 173.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -119.57 -37.82 3.09 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.361 1.464 . . . . 10.0 113.749 171.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.1 t -147.0 147.79 17.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 125.395 1.478 . . . . 10.0 109.905 178.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.6 t -73.66 136.94 43.86 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 113.879 1.066 . . . . 10.0 113.879 -177.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.78 -24.34 3.39 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.005 1.322 . . . . 10.0 113.022 167.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -87.07 -2.46 58.65 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.803 1.409 . . . . 10.0 114.803 173.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -108.14 -28.23 9.63 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 126.282 1.833 . . . . 10.0 110.582 172.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 90.1 mt -75.9 128.29 37.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 C-N-CA 127.793 2.437 . . . . 10.0 110.359 169.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 36.5 t -72.59 -52.45 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 C-N-CA 123.58 0.752 . . . . 10.0 109.331 168.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -164.71 177.03 8.3 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.865 0.866 . . . . 10.0 112.123 172.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 15.0 pt -135.24 129.5 50.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 125.523 1.529 . . . . 10.0 110.906 175.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -98.95 118.81 36.56 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 108.221 -1.029 . . . . 10.0 108.221 168.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 57.1 mt -131.19 124.46 55.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 N-CA-C 108.453 -0.943 . . . . 10.0 108.453 172.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 52.7 m -119.73 120.28 36.11 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 125.924 1.69 . . . . 10.0 107.765 175.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.2 t -115.49 120.24 64.15 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.145 0 N-CA-C 107.322 -1.362 . . . . 10.0 107.322 171.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -117.84 139.25 51.37 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 124.99 1.316 . . . . 10.0 108.936 179.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.4 p -133.89 139.46 48.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 C-N-CA 123.435 0.694 . . . . 10.0 109.308 177.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.9 158.05 43.94 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.238 1.415 . . . . 10.0 110.223 -168.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -142.33 100.9 3.8 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.453 0.701 . . . . 10.0 109.651 174.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.9 t -131.1 82.5 2.05 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.899 1.28 . . . . 10.0 108.553 -178.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.7 t70 66.7 -44.61 0.44 Allowed 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 128.2 2.6 . . . . 10.0 112.494 -167.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -107.53 157.78 17.75 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.133 1.773 . . . . 10.0 110.672 168.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.9 tt -85.27 129.06 34.89 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.034 1.333 . . . . 10.0 108.059 173.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -131.26 147.1 52.55 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.693 0.797 . . . . 10.0 110.993 -179.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 67.9 t -136.04 135.06 50.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 C-N-CA 124.899 1.28 . . . . 10.0 108.451 176.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -108.29 140.94 40.82 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 107.313 -1.366 . . . . 10.0 107.313 166.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.1 mt -131.63 110.09 16.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 N-CA-C 105.517 -2.031 . . . . 10.0 105.517 169.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 56.4 m -120.78 121.67 38.68 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 107.546 -1.279 . . . . 10.0 107.546 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.45 149.63 52.46 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.05 0.94 . . . . 10.0 111.988 -177.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.95 147.4 35.16 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.654 1.582 . . . . 10.0 110.408 172.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 54.9 tp -127.97 104.28 7.71 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.622 1.569 . . . . 10.0 110.148 -169.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -96.64 102.86 14.72 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 108.968 -0.753 . . . . 10.0 108.968 -177.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 45.3 mt -85.61 151.9 23.54 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.434 1.094 . . . . 10.0 111.27 174.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.417 ' C ' ' H ' ' A' ' 63' ' ' LEU . 26.0 t0 -59.05 147.15 35.8 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 112.147 0.425 . . . . 10.0 112.147 170.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -67.46 19.74 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.751 2.02 . . . . 10.0 113.896 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.417 ' H ' ' C ' ' A' ' 61' ' ' ASP . 14.1 tp -137.62 6.35 2.72 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 128.39 2.676 . . . . 10.0 111.457 -177.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.0 m -127.42 139.26 52.95 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.97 1.308 . . . . 10.0 111.605 -174.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -138.34 94.32 2.85 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.583 1.553 . . . . 10.0 110.13 -170.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.57 -173.92 3.92 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.952 1.701 . . . . 10.0 112.267 172.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -85.37 146.04 43.83 Favored Pre-proline 0 CA--C 1.548 0.878 0 O-C-N 121.044 -1.035 . . . . 10.0 111.559 -170.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -73.21 44.16 0.81 Allowed 'Trans proline' 0 CA--C 1.547 1.15 1 C-N-CA 126.209 4.606 . . . . 10.0 114.645 -169.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.14 9.93 0.02 OUTLIER Glycine 0 CA--C 1.537 1.45 0 C-N-CA 127.058 2.266 . . . . 10.0 114.141 177.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.8 tt -62.17 -23.12 30.92 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 CA-C-N 119.461 1.63 . . . . 10.0 114.696 -169.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.2 p -86.07 -30.14 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 124.189 0.995 . . . . 10.0 113.039 170.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -59.99 -36.06 76.38 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.642 1.11 . . . . 10.0 110.525 173.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -63.67 -36.69 84.68 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.17 0.588 . . . . 10.0 111.275 171.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.517 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -67.46 -43.12 81.8 Favored 'General case' 0 C--N 1.344 0.352 0 CA-C-N 119.011 0.823 . . . . 10.0 111.802 176.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.495 HG12 ' CE2' ' A' ' 79' ' ' TYR . 1.8 t -69.66 -41.31 80.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-O 118.324 -0.846 . . . . 10.0 110.82 178.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -58.73 -42.23 88.28 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 119.692 1.133 . . . . 10.0 111.512 170.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.81 -39.7 95.08 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.832 0.742 . . . . 10.0 111.323 177.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.12 -43.36 87.38 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.107 0.781 . . . . 10.0 113.107 171.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.495 ' CE2' HG12 ' A' ' 75' ' ' VAL . 39.2 m-85 -63.94 -43.36 96.12 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.55 1.068 . . . . 10.0 111.963 178.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 -72.58 -30.35 64.31 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.792 0.837 . . . . 10.0 112.342 177.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 48.5 t -63.13 -45.88 89.87 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 121.807 -0.558 . . . . 10.0 110.376 168.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -62.97 -43.11 99.68 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.659 0.784 . . . . 10.0 111.499 176.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -58.81 -41.21 86.25 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.542 1.137 . . . . 10.0 111.165 175.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.7 t -78.3 -17.91 55.97 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.423 1.268 . . . . 10.0 114.423 174.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -79.98 -36.34 36.2 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.878 1.271 . . . . 10.0 110.964 176.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.75 6.14 2.71 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.826 1.251 . . . . 10.0 113.058 177.276 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -45.87 -32.23 2.53 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 127.463 2.305 . . . . 10.0 112.716 167.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -104.91 21.82 35.12 Favored Glycine 0 CA--C 1.536 1.352 0 CA-C-O 119.009 -0.884 . . . . 10.0 114.252 176.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -142.06 -23.73 0.69 Allowed 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 115.18 1.548 . . . . 10.0 115.18 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 -121.1 -6.81 9.45 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 114.904 1.446 . . . . 10.0 114.904 -171.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 . . . . . 0 C--O 1.254 1.305 0 C-N-CA 126.19 1.796 . . . . 10.0 110.378 169.513 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.9 mtt . . . . . 0 N--CA 1.482 1.169 0 N-CA-C 109.684 -0.487 . . . . 10.0 109.684 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.4 m -166.45 136.63 3.27 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.555 1.142 . . . . 10.0 109.736 169.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 77.3 mt -61.33 162.15 8.17 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.631 0.772 . . . . 10.0 110.906 170.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -114.8 -156.47 0.6 Allowed 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.942 1.297 . . . . 10.0 109.184 -179.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -56.83 113.9 1.85 Allowed 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 108.344 -0.984 . . . . 10.0 108.344 169.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 73.2 mt -74.7 105.89 6.0 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 108.313 -0.995 . . . . 10.0 108.313 -176.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.6 t -153.41 -172.72 4.32 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 126.997 2.119 . . . . 10.0 107.959 -175.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -40.92 -47.19 2.94 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.987 1.715 . . . . 10.0 113.211 -177.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.8 -59.49 9.11 Favored Glycine 0 CA--C 1.535 1.342 0 CA-C-N 119.07 0.85 . . . . 10.0 114.609 178.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.53 -42.65 99.13 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 117.796 0.798 . . . . 10.0 111.226 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.0 mt -70.15 -39.35 75.4 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-O 118.666 -0.683 . . . . 10.0 112.123 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -62.24 -46.13 90.23 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 119.354 0.979 . . . . 10.0 111.296 171.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -62.51 -37.86 87.69 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.113 0.869 . . . . 10.0 112.137 176.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.9 mt -64.7 -39.68 86.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 O-C-N 120.85 -1.156 . . . . 10.0 110.347 172.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.0 p -59.58 -38.33 80.9 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.494 1.043 . . . . 10.0 112.58 171.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.18 -43.86 90.32 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 125.271 1.428 . . . . 10.0 111.36 174.086 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -60.19 -42.6 95.41 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.671 0.788 . . . . 10.0 111.477 174.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.1 mt -65.18 -49.7 68.79 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.635 0.774 . . . . 10.0 111.819 175.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.7 t-160 -59.03 -44.71 91.79 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.955 0.902 . . . . 10.0 111.928 179.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -63.19 -43.4 98.3 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 118.65 -0.69 . . . . 10.0 111.473 172.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.2 m -61.05 -46.68 89.71 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.292 0.951 . . . . 10.0 111.812 -178.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.535 HG23 ' HB1' ' A' ' 74' ' ' ALA . 57.4 mt -64.13 -44.2 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 CA-C-N 118.232 0.469 . . . . 10.0 110.34 175.169 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.7 m -60.17 -47.57 85.38 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.219 0.608 . . . . 10.0 111.784 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -63.73 -38.63 91.82 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.022 0.929 . . . . 10.0 111.595 175.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.422 ' HA ' ' HG2' ' A' ' 28' ' ' LYS . 26.7 t80 -63.52 -45.43 90.65 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 118.921 0.782 . . . . 10.0 111.762 174.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 54.3 mt -59.89 -49.41 84.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 C-N-CA 123.583 0.753 . . . . 10.0 109.323 175.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.61 -28.55 69.97 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.747 1.017 . . . . 10.0 113.747 176.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.422 ' HG2' ' HA ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -84.5 0.27 50.38 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 119.882 1.219 . . . . 10.0 113.631 171.736 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -116.12 -37.98 3.71 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.041 1.336 . . . . 10.0 114.449 177.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.4 p -148.02 149.41 15.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.083 1.353 . . . . 10.0 110.788 -170.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.3 t -88.16 136.51 32.94 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 115.782 1.771 . . . . 10.0 115.782 -168.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.69 -24.28 3.25 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.003 1.321 . . . . 10.0 113.162 167.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.0 -16.02 61.08 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 115.064 1.505 . . . . 10.0 115.064 173.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -115.65 -25.32 7.89 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.384 1.474 . . . . 10.0 111.876 177.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.4 mm -73.01 121.04 22.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 124.57 1.148 . . . . 10.0 108.644 167.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.2 t -72.55 -49.4 41.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 C-N-CA 123.554 0.742 . . . . 10.0 109.419 168.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -161.67 175.56 11.9 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.352 0.871 . . . . 10.0 113.352 173.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.2 pt -133.09 143.16 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 C-N-CA 125.733 1.613 . . . . 10.0 110.884 170.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -123.34 130.83 53.28 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 106.096 -1.816 . . . . 10.0 106.096 167.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 47.6 mt -131.22 123.43 53.36 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.267 0 N-CA-C 106.893 -1.521 . . . . 10.0 106.893 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.2 m -119.66 117.51 28.48 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 107.676 -1.231 . . . . 10.0 107.676 -174.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.2 t -115.75 129.63 71.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 N-CA-C 108.146 -1.057 . . . . 10.0 108.146 175.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -115.56 133.98 55.51 Favored 'General case' 0 C--N 1.334 -0.098 0 N-CA-C 107.8 -1.185 . . . . 10.0 107.8 171.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.4 p -139.96 132.96 35.15 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 123.442 0.697 . . . . 10.0 110.491 177.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -153.26 160.23 42.72 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.013 0.925 . . . . 10.0 111.79 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -127.47 108.94 11.25 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.169 0.588 . . . . 10.0 109.822 174.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.5 t -131.29 80.7 1.95 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.919 1.288 . . . . 10.0 108.474 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 59.97 -36.94 0.08 Allowed 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 128.445 2.698 . . . . 10.0 114.347 -166.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -108.02 156.52 19.15 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 129.029 2.931 . . . . 10.0 109.321 168.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.6 tp -85.33 129.11 34.88 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.382 1.073 . . . . 10.0 109.58 171.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -117.69 126.98 53.46 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 108.641 -0.874 . . . . 10.0 108.641 169.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.5 p -136.27 123.52 33.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 C-N-CA 124.664 1.186 . . . . 10.0 108.002 169.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -136.62 136.71 39.41 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 124.698 1.199 . . . . 10.0 108.671 -169.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 51.9 mt -132.18 135.82 57.54 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 C-N-CA 123.916 0.887 . . . . 10.0 110.131 -168.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.5 t -131.11 139.4 49.83 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 125.233 1.413 . . . . 10.0 108.005 167.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.23 138.32 49.29 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 121.599 0.714 . . . . 10.0 109.506 170.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -126.76 128.93 47.39 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 126.353 1.861 . . . . 10.0 107.44 -172.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 50.7 tp -127.84 117.0 21.02 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 124.356 1.062 . . . . 10.0 108.939 -170.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -113.63 106.96 15.14 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.23 -0.656 . . . . 10.0 109.23 -171.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -82.27 151.86 26.6 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.815 1.646 . . . . 10.0 111.962 176.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -61.07 147.39 43.96 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.01 167.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -64.94 4.43 0.44 Allowed 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.7 1.37 . . . . 10.0 114.7 -178.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 86.3 mt -126.06 21.86 7.39 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 127.909 2.484 . . . . 10.0 111.64 175.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 65.5 m -148.79 160.28 43.36 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 120.118 -1.614 . . . . 10.0 112.774 172.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -158.89 103.25 1.69 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.509 1.124 . . . . 10.0 109.503 -169.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.57 -174.38 1.1 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.62 1.568 . . . . 10.0 113.45 176.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -85.26 143.65 39.63 Favored Pre-proline 0 CA--C 1.547 0.858 0 O-C-N 120.59 -1.319 . . . . 10.0 111.742 -170.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -73.56 60.63 4.26 Favored 'Trans proline' 0 CA--C 1.544 1.013 1 C-N-CA 125.811 4.341 . . . . 10.0 113.237 -171.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 166.51 -9.36 0.06 OUTLIER Glycine 0 CA--C 1.535 1.342 0 C-N-CA 126.407 1.956 . . . . 10.0 114.297 -177.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.1 tt -55.09 -27.88 20.13 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 C-N-CA 125.759 1.623 . . . . 10.0 114.835 -172.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 79.5 t -78.79 -51.55 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 125.612 1.565 . . . . 10.0 110.856 174.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -53.68 -37.72 63.49 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.279 1.032 . . . . 10.0 111.323 175.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -63.77 -38.6 91.69 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 119.035 -0.507 . . . . 10.0 111.953 171.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.535 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -68.29 -41.5 80.86 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 119.367 0.985 . . . . 10.0 111.441 178.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.47 HG12 ' CE2' ' A' ' 79' ' ' TYR . 12.0 t -71.33 -41.2 74.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 CA-C-O 118.699 -0.667 . . . . 10.0 110.728 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -58.73 -42.93 89.92 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.81 1.244 . . . . 10.0 111.672 169.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.91 -39.38 94.37 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 118.88 -0.581 . . . . 10.0 111.105 175.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.14 -45.01 90.4 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.003 0.819 . . . . 10.0 112.508 170.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.47 ' CE2' HG12 ' A' ' 75' ' ' VAL . 36.3 m-85 -65.43 -43.66 89.78 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.468 1.031 . . . . 10.0 112.43 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 47.4 mtm180 -72.77 -29.35 63.23 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 113.391 0.886 . . . . 10.0 113.391 176.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.8 m -67.17 -43.05 83.21 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 118.464 0.575 . . . . 10.0 110.804 169.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 40.3 tp -63.46 -44.72 93.65 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 123.622 0.769 . . . . 10.0 111.835 175.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -61.09 -41.6 96.96 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.108 0.563 . . . . 10.0 111.156 175.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -68.15 -35.95 78.89 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.672 0.789 . . . . 10.0 112.179 177.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -70.12 -42.29 72.83 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.938 1.295 . . . . 10.0 111.367 174.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.0 tp -72.44 -31.88 65.84 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 118.639 0.654 . . . . 10.0 111.695 -179.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -57.63 -19.81 28.86 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.517 0.727 . . . . 10.0 112.023 167.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -91.17 -3.75 69.5 Favored Glycine 0 CA--C 1.534 1.226 0 CA-C-O 118.625 -1.097 . . . . 10.0 114.429 174.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -138.51 -8.24 1.47 Allowed 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 115.474 1.657 . . . . 10.0 115.474 -173.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -137.26 -36.54 0.65 Allowed 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 114.807 1.41 . . . . 10.0 114.807 176.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 . . . . . 0 C--O 1.255 1.349 0 CA-C-O 116.997 -1.478 . . . . 10.0 112.273 -167.597 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.482 1.171 0 CA-C-O 119.279 -0.391 . . . . 10.0 110.801 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.0 t -142.42 35.09 1.47 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.964 1.306 . . . . 10.0 111.754 177.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.432 HD13 ' CE2' ' A' ' 89' ' ' PHE . 79.7 mt -67.6 170.58 7.48 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.574 1.55 . . . . 10.0 112.902 -175.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -125.41 178.48 5.59 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.73 1.212 . . . . 10.0 113.061 -167.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -60.74 116.65 4.57 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.346 1.058 . . . . 10.0 108.871 169.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.429 ' H ' HD12 ' A' ' 6' ' ' LEU . 4.9 mp -74.55 121.02 20.91 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.322 0.582 . . . . 10.0 111.168 -168.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.5 t -140.33 -170.82 3.07 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.122 1.369 . . . . 10.0 110.078 169.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -46.77 -39.09 11.1 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.838 1.655 . . . . 10.0 113.498 -175.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.46 -45.07 91.86 Favored Glycine 0 CA--C 1.533 1.211 0 CA-C-O 119.299 -0.723 . . . . 10.0 113.701 176.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.67 -40.31 80.22 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 118.61 1.205 . . . . 10.0 111.275 176.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.2 mp -64.88 -38.82 92.25 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 117.783 -1.103 . . . . 10.0 112.203 175.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -67.04 -46.19 75.14 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 120.109 1.322 . . . . 10.0 110.088 168.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -55.06 -43.88 74.25 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 120.273 1.397 . . . . 10.0 111.173 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.3 mt -68.66 -49.15 67.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 124.098 0.959 . . . . 10.0 111.418 174.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.2 t -60.03 -45.83 91.52 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.768 1.167 . . . . 10.0 112.709 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.2 m -66.32 -40.9 90.23 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.395 1.878 . . . . 10.0 111.452 175.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -61.23 -41.83 97.55 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.562 1.074 . . . . 10.0 112.457 171.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.0 mt -65.91 -44.59 84.73 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.524 0.73 . . . . 10.0 111.44 175.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -58.02 -48.66 79.4 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.263 0.625 . . . . 10.0 111.304 174.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.6 -41.49 94.84 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-O 118.817 -0.611 . . . . 10.0 111.769 172.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 94.4 m -60.99 -43.55 98.7 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.474 1.034 . . . . 10.0 111.014 -176.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 54.7 mt -69.86 -48.33 64.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 118.259 0.482 . . . . 10.0 111.029 173.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.8 t -60.69 -47.23 87.17 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 118.553 0.615 . . . . 10.0 112.141 -175.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -65.39 -38.74 90.9 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 118.138 -0.934 . . . . 10.0 111.863 173.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -59.51 -45.7 90.95 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 120.274 1.397 . . . . 10.0 110.699 173.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 46.4 mt -61.94 -52.89 55.08 Favored 'Isoleucine or valine' 0 C--N 1.342 0.242 0 CA-C-O 118.001 -1.0 . . . . 10.0 109.581 177.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -59.08 -32.45 69.8 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.714 1.143 . . . . 10.0 113.382 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -85.04 -2.66 58.24 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.591 1.157 . . . . 10.0 113.457 176.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -117.85 -33.18 4.57 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.366 1.466 . . . . 10.0 113.013 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 43.5 t -140.33 129.29 26.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 126.601 1.96 . . . . 10.0 109.066 169.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.7 t -69.61 136.34 51.1 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 121.838 -0.539 . . . . 10.0 112.207 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.93 -24.68 3.82 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.078 1.751 . . . . 10.0 114.862 178.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.7 ptmm? -57.62 -23.93 53.73 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 120.396 1.453 . . . . 10.0 114.698 171.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -86.64 -13.5 45.42 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.601 1.56 . . . . 10.0 112.842 174.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 77.3 mt -105.47 127.24 60.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 124.76 1.224 . . . . 10.0 109.874 -168.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 47.0 t -70.93 -52.22 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 108.824 -0.806 . . . . 10.0 108.824 169.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -164.62 177.24 8.21 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.712 0.805 . . . . 10.0 112.41 171.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.1 pt -131.59 136.53 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 125.398 1.479 . . . . 10.0 110.205 168.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -108.86 129.16 55.4 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 105.63 -1.989 . . . . 10.0 105.63 166.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 69.2 mt -131.26 123.48 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 N-CA-C 107.064 -1.458 . . . . 10.0 107.064 173.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 81.9 m -119.61 117.47 28.41 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 108.194 -1.039 . . . . 10.0 108.194 178.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.9 t -116.04 120.03 63.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 C-N-CA 124.692 1.197 . . . . 10.0 109.457 172.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 mp -117.08 139.26 50.93 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 125.978 1.711 . . . . 10.0 108.884 176.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.0 p -139.23 131.06 35.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 C-N-CA 123.746 0.819 . . . . 10.0 108.906 177.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -151.83 160.05 43.68 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 121.927 0.87 . . . . 10.0 112.147 -178.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -135.45 113.99 11.7 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 108.284 -1.006 . . . . 10.0 108.284 -172.018 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.39 80.12 1.92 Allowed 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 108.011 -1.107 . . . . 10.0 108.011 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.6 t70 59.54 -35.75 0.07 Allowed 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 126.104 1.761 . . . . 10.0 113.585 -165.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -98.11 159.66 14.79 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 129.799 3.239 . . . . 10.0 109.244 168.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 33.8 tp -104.83 129.09 53.2 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 108.41 -0.959 . . . . 10.0 108.41 168.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.78 150.36 49.44 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 122.614 1.197 . . . . 10.0 112.866 168.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.9 p -136.28 134.48 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 126.36 1.864 . . . . 10.0 107.91 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -131.72 131.02 42.7 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 125.493 1.517 . . . . 10.0 108.42 -169.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.2 mt -132.13 130.49 60.86 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 C-N-CA 124.172 0.989 . . . . 10.0 108.837 -169.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.8 t -128.43 134.98 48.9 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 107.511 -1.292 . . . . 10.0 107.511 167.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.29 138.1 49.12 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 121.326 0.584 . . . . 10.0 109.439 169.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -129.02 135.46 48.98 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 125.556 1.542 . . . . 10.0 107.889 -176.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 53.4 tp -126.68 104.35 8.04 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 124.332 1.053 . . . . 10.0 108.322 -172.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -100.08 102.79 14.23 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 107.576 -1.268 . . . . 10.0 107.576 -175.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 52.1 mt -85.45 151.9 23.62 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 124.974 1.31 . . . . 10.0 111.596 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -61.76 147.14 47.19 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.847 170.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -69.73 16.61 0.06 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.202 1.801 . . . . 10.0 113.529 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.57 4.9 4.3 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 127.883 2.473 . . . . 10.0 112.042 -178.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.7 t -111.78 174.43 5.88 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.699 1.2 . . . . 10.0 112.82 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -158.99 115.93 2.73 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.326 1.85 . . . . 10.0 108.529 -174.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -130.84 -173.86 3.21 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.649 1.979 . . . . 10.0 112.698 -178.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -85.39 142.52 37.84 Favored Pre-proline 0 CA--C 1.548 0.885 0 O-C-N 120.769 -1.207 . . . . 10.0 110.793 -169.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -73.67 41.96 0.66 Allowed 'Trans proline' 0 CA--C 1.549 1.233 1 C-N-CA 125.533 4.155 . . . . 10.0 113.959 -176.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.07 19.17 0.03 OUTLIER Glycine 0 CA--C 1.542 1.719 0 C-N-CA 127.628 2.537 . . . . 10.0 113.442 175.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.4 tt -65.15 -29.74 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 N-CA-C 114.36 1.244 . . . . 10.0 114.36 -168.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.2 p -86.11 -33.66 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 C-N-CA 124.536 1.134 . . . . 10.0 112.13 175.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.57 -40.53 72.08 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.652 1.181 . . . . 10.0 111.078 174.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -64.01 -33.5 75.87 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 112.961 0.726 . . . . 10.0 112.961 170.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.99 -41.86 90.53 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 119.763 1.165 . . . . 10.0 111.368 172.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.453 HG12 ' CE2' ' A' ' 79' ' ' TYR . 2.3 t -67.32 -44.98 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 122.466 0.306 . . . . 10.0 110.842 178.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -58.64 -41.0 84.99 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.546 1.138 . . . . 10.0 111.764 172.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.85 -40.14 96.56 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 120.964 -1.085 . . . . 10.0 111.834 173.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.56 95.71 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.054 0.843 . . . . 10.0 112.139 172.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.453 ' CE2' HG12 ' A' ' 75' ' ' VAL . 44.9 m-85 -63.34 -43.64 97.13 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.784 0.72 . . . . 10.0 112.557 177.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -72.28 -35.61 68.76 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 118.439 0.563 . . . . 10.0 112.143 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.7 t -68.28 -25.08 64.98 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 117.974 -1.012 . . . . 10.0 112.749 172.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 18.3 tp -76.15 -40.44 52.62 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 119.573 1.079 . . . . 10.0 111.446 169.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -58.84 -36.82 75.17 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.354 0.662 . . . . 10.0 111.14 176.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 97.0 p -79.57 -35.48 39.71 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 114.316 1.228 . . . . 10.0 114.316 169.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -58.89 -33.84 70.97 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 120.805 1.639 . . . . 10.0 112.262 174.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.56 9.62 0.16 Allowed 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 125.616 1.566 . . . . 10.0 113.995 174.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -50.95 -17.87 0.67 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 127.18 2.192 . . . . 10.0 113.178 166.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -102.12 6.18 53.52 Favored Glycine 0 CA--C 1.53 1.023 0 CA-C-O 118.481 -1.177 . . . . 10.0 114.644 173.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.432 ' CE2' HD13 ' A' ' 3' ' ' LEU . 20.2 m-85 -142.57 -19.4 0.68 Allowed 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 115.47 1.655 . . . . 10.0 115.47 -169.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.5 mtt-85 -133.22 -5.11 3.03 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 116.84 2.163 . . . . 10.0 116.84 -171.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 . . . . . 0 C--O 1.251 1.136 0 CA-C-O 116.839 -1.553 . . . . 10.0 111.034 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.417 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.043 0 CA-C-O 118.126 -0.94 . . . . 10.0 110.337 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.3 t -145.26 9.83 1.26 Allowed 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 115.93 1.826 . . . . 10.0 115.93 178.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.566 ' H ' HD23 ' A' ' 3' ' ' LEU . 1.1 pt? -78.4 -175.28 4.17 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.603 1.161 . . . . 10.0 111.561 169.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -116.67 -169.19 1.58 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.262 1.025 . . . . 10.0 110.312 173.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -61.98 116.0 4.54 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.604 0.762 . . . . 10.0 109.171 177.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.9 mt -74.63 105.66 5.83 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 122.179 0.99 . . . . 10.0 108.438 -177.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -153.01 -175.15 5.2 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 128.207 2.603 . . . . 10.0 106.49 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -43.33 -40.54 3.63 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.801 2.04 . . . . 10.0 114.28 -172.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.0 -57.52 11.77 Favored Glycine 0 CA--C 1.534 1.22 0 CA-C-N 119.164 0.893 . . . . 10.0 113.708 177.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.96 -41.66 98.24 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 117.513 0.656 . . . . 10.0 110.949 177.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mp -64.11 -44.27 92.8 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.072 0.949 . . . . 10.0 113.497 176.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -66.71 -39.75 88.15 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 119.208 0.913 . . . . 10.0 111.462 174.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -66.29 -37.17 84.79 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.805 1.184 . . . . 10.0 112.485 174.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.0 mt -65.4 -42.14 92.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 O-C-N 120.719 -1.238 . . . . 10.0 110.569 172.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.0 t -58.53 -45.87 87.97 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.006 0.821 . . . . 10.0 111.557 172.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.05 -44.49 83.02 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.892 1.677 . . . . 10.0 111.693 173.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -68.09 -43.44 78.52 Favored 'General case' 0 C--O 1.236 0.372 0 O-C-N 121.727 -0.608 . . . . 10.0 112.208 -177.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -76.59 -36.94 57.24 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 113.667 0.988 . . . . 10.0 113.667 177.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -59.36 -47.54 85.02 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.531 1.06 . . . . 10.0 110.169 171.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -59.88 -41.18 91.02 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 112.388 0.514 . . . . 10.0 112.388 172.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.5 m -61.27 -45.85 92.79 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 118.793 0.724 . . . . 10.0 111.557 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 52.2 mt -66.1 -42.92 92.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 118.414 0.552 . . . . 10.0 110.924 175.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.4 t -57.94 -51.04 71.26 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.152 0.433 . . . . 10.0 111.712 176.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -58.93 -38.53 79.2 Favored 'General case' 0 C--N 1.344 0.33 0 CA-C-O 117.359 -1.305 . . . . 10.0 114.515 171.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -65.12 -46.08 82.48 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 120.157 1.344 . . . . 10.0 110.369 177.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.9 mt -63.71 -49.08 83.73 Favored 'Isoleucine or valine' 0 C--N 1.343 0.309 0 CA-C-N 118.594 0.634 . . . . 10.0 109.67 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.8 mp -65.18 -9.08 20.4 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 114.177 1.177 . . . . 10.0 114.177 177.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.6 mtmm -114.7 8.17 16.12 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.846 1.258 . . . . 10.0 113.333 171.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.566 ' HD3' HD11 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -119.95 -29.72 4.88 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 117.893 -1.051 . . . . 10.0 113.443 171.295 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.3 t -133.29 151.49 33.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 126.61 1.964 . . . . 10.0 109.237 173.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.9 t -77.91 136.17 37.98 Favored 'General case' 0 C--N 1.342 0.266 0 O-C-N 120.722 -1.236 . . . . 10.0 111.872 -178.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.69 -24.82 3.64 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.104 1.362 . . . . 10.0 113.294 169.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.18 -21.75 64.09 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.234 1.198 . . . . 10.0 114.234 171.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -106.67 -23.32 12.47 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.249 1.82 . . . . 10.0 111.919 -174.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 30.2 mm -70.94 108.54 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 C-N-CA 127.414 2.286 . . . . 10.0 108.325 178.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.7 t -73.16 -49.76 36.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 N-CA-C 108.636 -0.876 . . . . 10.0 108.636 169.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -163.1 175.45 11.05 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.361 0.664 . . . . 10.0 112.739 169.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.3 pt -138.68 139.21 41.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 C-N-CA 125.634 1.574 . . . . 10.0 109.902 171.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -124.53 116.71 22.91 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 124.106 0.962 . . . . 10.0 109.514 177.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 43.2 mt -131.13 127.16 60.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.135 0 C-N-CA 124.562 1.145 . . . . 10.0 108.618 -173.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.9 m -119.7 117.88 29.42 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 124.612 1.165 . . . . 10.0 108.666 175.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 65.5 t -99.4 129.54 49.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 N-CA-C 105.843 -1.91 . . . . 10.0 105.843 167.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 75.4 mt -117.51 139.04 51.46 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 107.958 -1.127 . . . . 10.0 107.958 172.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.4 p -139.82 132.07 34.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 124.43 1.092 . . . . 10.0 109.005 178.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -147.51 159.9 43.22 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.726 1.211 . . . . 10.0 109.459 -174.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -140.27 105.92 5.12 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 107.353 -1.351 . . . . 10.0 107.353 177.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.0 t -131.15 80.58 1.95 Allowed 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.791 1.237 . . . . 10.0 107.914 -177.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.5 t70 62.6 -41.68 0.17 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 127.805 2.442 . . . . 10.0 113.084 -166.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -105.16 153.52 21.42 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 127.611 2.365 . . . . 10.0 109.895 169.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 56.2 tp -85.23 129.09 34.88 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.86 1.264 . . . . 10.0 109.177 175.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -128.68 136.28 50.41 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.194 0.998 . . . . 10.0 110.314 -173.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 76.2 t -136.14 143.3 36.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 C-N-CA 124.846 1.258 . . . . 10.0 109.123 173.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -129.94 144.25 51.22 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 106.915 -1.513 . . . . 10.0 106.915 166.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 19.7 mt -130.65 120.49 48.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 N-CA-C 105.924 -1.88 . . . . 10.0 105.924 168.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.1 m -128.58 121.94 29.87 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 107.561 -1.274 . . . . 10.0 107.561 -175.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.28 146.77 52.44 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.211 1.004 . . . . 10.0 111.846 -172.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -139.37 147.58 41.69 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.647 1.179 . . . . 10.0 110.413 172.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 29.1 tp -124.93 128.21 48.27 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 125.81 1.644 . . . . 10.0 109.985 -168.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -114.18 107.96 16.32 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 121.95 0.881 . . . . 10.0 109.955 176.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.4 mt -96.45 152.07 18.96 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 125.81 1.644 . . . . 10.0 110.938 173.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.411 ' C ' ' H ' ' A' ' 63' ' ' LEU . 42.1 t0 -61.65 147.23 46.55 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 115.955 -0.566 . . . . 10.0 111.465 169.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -66.66 20.3 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 127.56 2.344 . . . . 10.0 113.462 -178.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.411 ' H ' ' C ' ' A' ' 61' ' ' ASP . 96.2 mt -136.8 5.09 2.84 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 128.266 2.626 . . . . 10.0 112.293 -173.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.31 143.36 50.46 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.893 1.277 . . . . 10.0 111.382 175.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -133.03 94.2 3.32 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 123.613 1.673 . . . . 10.0 109.134 -174.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.75 -176.45 6.09 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 113.261 -1.791 . . . . 10.0 112.414 172.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -85.31 141.76 37.33 Favored Pre-proline 0 CA--C 1.547 0.846 0 O-C-N 121.119 -0.988 . . . . 10.0 111.844 -168.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -73.99 58.56 4.18 Favored 'Trans proline' 0 CA--C 1.544 0.977 1 C-N-CA 125.969 4.446 . . . . 10.0 113.199 -171.287 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 169.64 -6.72 0.04 OUTLIER Glycine 0 CA--C 1.537 1.418 0 C-N-CA 126.717 2.103 . . . . 10.0 114.494 -176.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.566 HD11 ' HD3' ' A' ' 29' ' ' ARG . 3.1 tt -56.11 -29.43 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-N 119.308 1.554 . . . . 10.0 115.178 -171.219 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.7 t -71.85 -52.39 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.119 0.967 . . . . 10.0 109.943 173.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -58.42 -38.95 78.47 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.62 1.168 . . . . 10.0 111.405 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -63.88 -35.43 80.62 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 122.138 -0.351 . . . . 10.0 111.764 172.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.2 -42.84 83.47 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.878 0.763 . . . . 10.0 111.078 176.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.456 HG12 ' CE2' ' A' ' 79' ' ' TYR . 1.6 t -69.46 -41.97 80.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-O 119.1 -0.476 . . . . 10.0 111.293 178.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -58.68 -41.2 85.66 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.923 1.289 . . . . 10.0 111.216 172.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.99 -40.57 98.17 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.914 -0.491 . . . . 10.0 111.623 172.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.27 -40.55 96.19 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 119.084 0.857 . . . . 10.0 112.984 172.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.456 ' CE2' HG12 ' A' ' 75' ' ' VAL . 43.9 m-85 -63.99 -43.15 96.56 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.003 0.819 . . . . 10.0 112.087 175.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 75.9 mtt-85 -68.22 -36.55 79.68 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.278 0.631 . . . . 10.0 111.742 174.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.3 t -62.87 -48.21 79.98 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 118.622 -0.704 . . . . 10.0 109.867 176.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 27.3 tp -63.54 -43.43 97.12 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 118.906 0.776 . . . . 10.0 112.791 174.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -41.72 91.64 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 119.006 0.821 . . . . 10.0 112.053 178.161 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.4 m -83.04 -29.4 28.89 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 122.033 -0.417 . . . . 10.0 111.628 -178.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -61.68 -42.29 98.72 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.368 1.067 . . . . 10.0 110.643 168.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.8 tp -76.1 -34.27 59.49 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-N 118.677 0.671 . . . . 10.0 112.037 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -59.44 -31.17 69.05 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 118.017 0.371 . . . . 10.0 110.161 167.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -75.97 -12.55 83.91 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 124.1 0.857 . . . . 10.0 114.256 177.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.417 ' O ' ' HA ' ' A' ' 1' ' ' MET . 23.9 m-85 -128.31 -11.81 5.13 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 115.1 1.518 . . . . 10.0 115.1 -174.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 22.0 mtm180 -134.62 -41.99 0.77 Allowed 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 117.094 -1.432 . . . . 10.0 114.488 176.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 . . . . . 0 C--O 1.268 2.049 0 O-C-N 126.018 2.074 . . . . 10.0 108.4 -163.588 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 mpp? . . . . . 0 N--CA 1.483 1.18 0 CA-C-O 118.811 -0.614 . . . . 10.0 109.535 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 t -150.69 62.72 0.93 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.404 0.682 . . . . 10.0 111.19 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 88.9 mt -70.0 179.84 2.15 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.893 0.877 . . . . 10.0 111.69 170.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 84.4 mmt-85 -133.63 176.79 8.23 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.0 1.32 . . . . 10.0 110.808 -174.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -59.06 110.05 0.97 Allowed 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.823 -0.806 . . . . 10.0 108.823 171.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 90.6 mt -74.59 111.98 10.32 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 124.087 0.867 . . . . 10.0 110.13 -168.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.9 t -137.87 -170.75 2.85 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.432 1.493 . . . . 10.0 110.231 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.3 -40.8 3.7 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.147 1.779 . . . . 10.0 113.586 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.05 -52.42 44.86 Favored Glycine 0 CA--C 1.535 1.32 0 CA-C-N 119.128 0.876 . . . . 10.0 113.835 175.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.61 -40.57 97.25 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 118.766 1.283 . . . . 10.0 111.149 178.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.2 mp -64.96 -37.17 86.75 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.668 1.187 . . . . 10.0 112.986 175.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -69.22 -45.01 70.87 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 120.331 1.423 . . . . 10.0 110.784 168.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -54.81 -40.64 69.73 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 120.242 1.383 . . . . 10.0 111.314 178.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 88.6 mt -70.14 -49.14 57.56 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 123.241 0.616 . . . . 10.0 112.079 171.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.4 m -65.86 -45.44 82.11 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.204 -0.935 . . . . 10.0 111.768 -173.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.2 m -66.59 -35.17 79.54 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.907 1.283 . . . . 10.0 111.529 174.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -60.92 -42.47 98.19 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.976 1.262 . . . . 10.0 112.023 169.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.3 mt -66.58 -45.06 80.49 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 122.972 0.509 . . . . 10.0 111.43 176.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.0 t-160 -58.03 -48.6 79.58 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 118.325 0.511 . . . . 10.0 111.548 174.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.13 -40.47 93.94 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-O 118.699 -0.667 . . . . 10.0 111.007 175.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.3 m -61.01 -44.4 97.47 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.565 0.746 . . . . 10.0 111.044 -179.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.436 HG23 ' HB1' ' A' ' 74' ' ' ALA . 59.8 mt -67.91 -44.78 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 CA-C-N 118.395 0.543 . . . . 10.0 110.889 175.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.2 t -58.09 -47.77 82.2 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 118.32 0.509 . . . . 10.0 111.379 178.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -63.58 -38.85 92.71 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.529 1.132 . . . . 10.0 111.614 175.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.408 ' HA ' ' HG2' ' A' ' 28' ' ' LYS . 17.9 t80 -65.06 -45.67 84.38 Favored 'General case' 0 C--N 1.345 0.385 0 CA-C-N 119.247 0.93 . . . . 10.0 111.152 177.352 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.4 mt -59.94 -53.09 53.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 108.718 -0.845 . . . . 10.0 108.718 176.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.2 mp -61.49 -31.84 71.83 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.431 0.901 . . . . 10.0 113.431 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.408 ' HG2' ' HA ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -80.88 -0.99 41.52 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 119.721 1.146 . . . . 10.0 113.749 173.413 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -123.37 -29.61 3.79 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 114.039 1.125 . . . . 10.0 114.039 -177.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.0 p -149.66 145.27 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 126.247 1.819 . . . . 10.0 109.898 171.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.8 t -74.3 136.79 42.61 Favored 'General case' 0 N--CA 1.465 0.306 0 O-C-N 120.955 -1.091 . . . . 10.0 113.872 -169.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.85 -24.66 3.71 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.958 1.303 . . . . 10.0 113.076 168.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -81.65 -7.83 59.64 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.553 1.316 . . . . 10.0 114.553 173.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -99.61 -11.46 20.94 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.806 1.642 . . . . 10.0 110.873 170.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.3 mt -95.22 128.23 46.57 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 127.846 2.458 . . . . 10.0 110.071 -177.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.5 t -73.14 -52.8 20.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 C-N-CA 123.801 0.841 . . . . 10.0 108.799 167.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -166.08 177.16 7.17 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.098 0.959 . . . . 10.0 111.991 171.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.3 pt -130.47 141.77 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 125.2 1.4 . . . . 10.0 110.585 171.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -114.27 119.22 36.27 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 108.379 -0.971 . . . . 10.0 108.379 169.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 43.5 mt -131.16 121.95 50.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 N-CA-C 107.89 -1.152 . . . . 10.0 107.89 174.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.1 m -119.61 118.09 30.06 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 107.666 -1.235 . . . . 10.0 107.666 177.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -115.46 117.9 57.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 125.911 1.684 . . . . 10.0 107.319 -177.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -117.64 138.84 51.7 Favored 'General case' 0 CA--C 1.523 -0.086 0 N-CA-C 108.581 -0.896 . . . . 10.0 108.581 -178.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.1 p -139.76 141.68 34.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 123.692 0.797 . . . . 10.0 109.228 172.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -143.56 153.9 43.04 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.357 1.463 . . . . 10.0 109.836 -169.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -131.35 99.73 4.94 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.864 0.866 . . . . 10.0 108.788 171.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.8 m -131.2 81.52 1.99 Allowed 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 107.57 -1.27 . . . . 10.0 107.57 177.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.9 t70 64.73 -45.43 0.32 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 128.516 2.727 . . . . 10.0 112.692 -167.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -98.36 146.84 25.29 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 127.463 2.305 . . . . 10.0 110.145 168.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.2 tt -85.39 120.13 26.52 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 106.902 -1.518 . . . . 10.0 106.902 167.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -134.12 148.94 51.05 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.376 0.67 . . . . 10.0 111.085 -175.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.1 p -136.29 148.26 27.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 125.631 1.572 . . . . 10.0 110.586 -173.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -130.85 141.62 50.33 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 125.226 1.41 . . . . 10.0 107.857 167.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.402 HG21 HD11 ' A' ' 22' ' ' ILE . 32.1 mt -130.32 109.7 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 N-CA-C 106.228 -1.768 . . . . 10.0 106.228 173.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.2 m -120.92 121.76 38.74 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 108.066 -1.087 . . . . 10.0 108.066 -178.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.45 155.13 47.88 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.937 0.895 . . . . 10.0 112.931 -175.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.41 146.39 32.47 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.32 1.848 . . . . 10.0 110.376 171.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 41.8 tp -128.05 104.3 7.7 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 126.038 1.735 . . . . 10.0 109.931 -173.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -93.03 102.74 15.08 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 108.793 -0.818 . . . . 10.0 108.793 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 42.6 mt -85.59 151.99 23.48 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.62 1.168 . . . . 10.0 110.895 171.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -58.9 147.06 35.39 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 112.747 0.647 . . . . 10.0 112.747 175.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -64.89 -9.83 24.03 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 114.561 1.319 . . . . 10.0 114.561 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.15 8.4 43.89 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.384 1.473 . . . . 10.0 112.844 171.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 27.5 t -112.95 151.22 30.8 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.818 1.247 . . . . 10.0 112.977 -174.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -146.03 94.91 2.54 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.503 1.921 . . . . 10.0 109.119 -172.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.8 -171.91 1.99 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.536 1.534 . . . . 10.0 112.076 175.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -85.37 144.11 40.12 Favored Pre-proline 0 CA--C 1.548 0.868 0 O-C-N 120.978 -1.077 . . . . 10.0 112.109 -168.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -74.25 45.76 1.25 Allowed 'Trans proline' 0 CA--C 1.548 1.206 1 C-N-CA 125.994 4.463 . . . . 10.0 114.135 -172.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.17 8.18 0.02 OUTLIER Glycine 0 CA--C 1.539 1.533 0 C-N-CA 126.932 2.206 . . . . 10.0 114.435 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.6 tt -59.3 -32.93 49.48 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 CA-C-N 118.945 1.372 . . . . 10.0 113.921 -170.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.5 p -86.11 -34.36 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 124.911 1.284 . . . . 10.0 113.055 172.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -58.74 -40.14 82.96 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 119.425 1.012 . . . . 10.0 110.572 174.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -63.78 -32.92 74.58 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 118.593 -0.717 . . . . 10.0 112.274 171.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.436 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -66.85 -44.49 80.87 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.979 1.263 . . . . 10.0 111.433 175.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.458 HG12 ' CE2' ' A' ' 79' ' ' TYR . 1.4 t -66.85 -45.06 88.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 CA-C-N 117.781 0.264 . . . . 10.0 110.436 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -58.64 -40.61 83.89 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.278 1.431 . . . . 10.0 112.031 173.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.94 -41.99 99.66 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.669 0.668 . . . . 10.0 111.333 174.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.27 -43.08 95.94 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 118.463 -0.779 . . . . 10.0 112.491 172.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.458 ' CE2' HG12 ' A' ' 75' ' ' VAL . 42.0 m-85 -66.53 -43.76 84.3 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 119.672 1.123 . . . . 10.0 112.348 179.162 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 44.7 mtm180 -72.61 -30.3 64.24 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.478 -0.764 . . . . 10.0 112.666 176.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 46.7 t -63.06 -48.76 77.3 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 118.143 -0.932 . . . . 10.0 109.867 169.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 25.3 tp -58.06 -43.81 87.15 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.789 0.836 . . . . 10.0 112.469 176.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -60.94 -41.49 96.34 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 119.194 -0.431 . . . . 10.0 111.33 175.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.1 p -68.04 -31.73 71.59 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.969 0.729 . . . . 10.0 112.969 175.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -76.08 -42.13 48.32 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.387 1.075 . . . . 10.0 111.516 -176.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -73.2 -34.06 65.73 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 118.279 -0.867 . . . . 10.0 111.407 171.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -56.12 -42.69 77.25 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 119.376 0.989 . . . . 10.0 110.209 168.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -67.37 -5.03 33.5 Favored Glycine 0 CA--C 1.535 1.284 0 CA-C-O 119.034 -0.87 . . . . 10.0 114.588 175.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 22.2 m-30 -119.96 -22.85 6.57 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 114.383 1.253 . . . . 10.0 114.383 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 45.1 mtm180 -143.97 -20.38 0.57 Allowed 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 115.613 1.709 . . . . 10.0 115.613 -170.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 . . . . . 0 C--O 1.251 1.174 0 O-C-N 124.554 1.159 . . . . 10.0 110.746 -165.827 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ttt . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 108.332 -0.988 . . . . 10.0 108.332 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -129.53 16.45 5.94 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 124.464 1.102 . . . . 10.0 113.257 -169.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 91.0 mt -120.36 155.6 33.04 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 125.883 1.673 . . . . 10.0 111.111 178.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -71.22 176.04 4.84 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.132 1.373 . . . . 10.0 110.378 171.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.69 108.23 0.37 Allowed 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.745 -0.597 . . . . 10.0 109.952 168.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 77.1 mt -74.9 105.63 6.03 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 119.774 -1.829 . . . . 10.0 110.224 -173.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.0 t -140.2 -169.78 2.83 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.771 0.828 . . . . 10.0 110.457 175.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -41.06 -46.56 2.95 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 126.658 1.983 . . . . 10.0 113.659 -175.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.17 -49.75 50.73 Favored Glycine 0 CA--C 1.528 0.892 0 CA-C-O 121.846 0.692 . . . . 10.0 113.208 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -67.57 -35.42 78.98 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.796 1.639 . . . . 10.0 111.143 -177.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 mp -70.02 -40.42 75.22 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.314 1.446 . . . . 10.0 113.165 169.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -63.14 -39.68 95.38 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 119.591 1.087 . . . . 10.0 111.786 173.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -58.54 -44.06 89.49 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.228 0.922 . . . . 10.0 112.005 172.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.7 mt -65.85 -46.26 89.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 O-C-N 121.524 -0.735 . . . . 10.0 111.276 174.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.8 t -58.88 -42.78 90.31 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.556 0.742 . . . . 10.0 111.927 176.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.5 t -64.51 -43.91 92.59 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 125.234 1.413 . . . . 10.0 111.77 174.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.38 -42.59 92.03 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.949 0.795 . . . . 10.0 111.599 174.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.6 mt -65.76 -50.51 64.49 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.542 0.737 . . . . 10.0 111.914 176.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -57.64 -49.92 74.88 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 118.864 0.756 . . . . 10.0 111.597 177.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -61.82 -37.45 84.48 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 118.741 -0.647 . . . . 10.0 111.336 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.3 m -61.09 -46.41 90.75 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 118.92 0.782 . . . . 10.0 111.339 176.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.523 HG23 ' HB1' ' A' ' 74' ' ' ALA . 43.4 mt -63.71 -49.94 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-N 118.765 0.711 . . . . 10.0 110.742 174.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.2 m -61.81 -40.94 97.03 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.287 0.635 . . . . 10.0 112.378 -176.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -66.13 -38.66 88.7 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.739 0.7 . . . . 10.0 111.931 171.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -66.21 -38.26 87.53 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 119.415 1.007 . . . . 10.0 112.026 176.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.3 mt -61.48 -53.12 52.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 O-C-N 121.177 -0.952 . . . . 10.0 109.276 171.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -63.34 -32.89 74.43 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.655 0.983 . . . . 10.0 113.655 -178.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.67 -9.05 58.26 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 118.149 -0.929 . . . . 10.0 113.411 174.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 -110.33 -34.82 6.24 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.459 1.652 . . . . 10.0 115.459 171.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.0 t -141.5 134.16 29.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.532 1.533 . . . . 10.0 109.525 -176.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.1 t -71.79 136.65 47.17 Favored 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 123.738 0.815 . . . . 10.0 112.004 178.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.81 -24.69 3.68 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.409 1.084 . . . . 10.0 113.217 169.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -24.26 67.52 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 120.604 1.547 . . . . 10.0 113.904 172.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -87.55 -14.57 39.87 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.892 1.677 . . . . 10.0 111.859 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 86.5 mt -109.29 128.22 65.41 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 127.18 2.192 . . . . 10.0 109.314 -169.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.4 t -69.21 -50.35 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 O-C-N 121.682 -0.636 . . . . 10.0 110.088 169.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -163.71 176.19 9.83 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.295 0.85 . . . . 10.0 113.295 172.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.8 pt -133.09 143.13 40.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 C-N-CA 125.58 1.552 . . . . 10.0 110.443 169.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -123.67 126.85 47.32 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 107.664 -1.236 . . . . 10.0 107.664 169.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 51.9 mt -131.32 121.61 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 N-CA-C 107.709 -1.219 . . . . 10.0 107.709 -179.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.5 m -119.69 117.86 29.39 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 124.685 1.194 . . . . 10.0 108.026 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.3 t -115.53 127.21 73.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 N-CA-C 107.33 -1.359 . . . . 10.0 107.33 175.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.1 mp -117.66 139.06 51.53 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 124.978 1.311 . . . . 10.0 108.046 -175.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.3 p -139.68 137.34 39.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 C-N-CA 123.921 0.888 . . . . 10.0 109.74 176.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -148.46 156.91 43.08 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.295 1.438 . . . . 10.0 109.329 -176.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -138.12 104.9 5.35 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 107.479 -1.304 . . . . 10.0 107.479 174.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.7 t -131.21 80.86 1.96 Allowed 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.413 1.485 . . . . 10.0 108.19 -173.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.7 t70 64.64 -33.05 0.14 Allowed 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 127.63 2.372 . . . . 10.0 113.47 -167.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -123.78 158.66 31.24 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 128.355 2.662 . . . . 10.0 109.21 172.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 49.9 tp -85.18 129.16 34.86 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.457 1.103 . . . . 10.0 109.154 177.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -124.15 136.87 54.51 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 124.589 1.156 . . . . 10.0 109.889 178.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.0 p -136.31 141.28 41.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 C-N-CA 125.354 1.462 . . . . 10.0 108.512 173.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -140.92 146.33 37.27 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 123.979 0.912 . . . . 10.0 111.243 176.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 36.6 mt -132.43 120.03 41.22 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 C-N-CA 125.401 1.48 . . . . 10.0 109.456 -170.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.8 m -122.65 127.17 48.98 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.603 1.161 . . . . 10.0 108.725 169.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.32 138.28 49.15 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.313 0.645 . . . . 10.0 110.756 175.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -127.39 137.32 52.72 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 125.672 1.589 . . . . 10.0 109.782 -175.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -116.09 121.01 40.92 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 125.699 1.599 . . . . 10.0 107.448 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -113.52 102.68 10.53 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 107.394 -1.335 . . . . 10.0 107.394 173.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.5 mt -85.05 152.04 23.71 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 125.383 1.473 . . . . 10.0 111.242 -177.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -61.42 147.25 45.68 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.429 168.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -66.67 9.87 0.16 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.94 1.296 . . . . 10.0 114.234 -178.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.1 tp -127.83 6.88 6.12 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 128.287 2.635 . . . . 10.0 111.876 178.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.8 m -112.73 145.13 41.07 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.351 1.46 . . . . 10.0 112.046 -178.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -144.57 94.46 2.56 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.157 1.383 . . . . 10.0 110.636 -177.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.71 -168.29 2.19 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 125.881 1.672 . . . . 10.0 112.684 174.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -85.43 145.59 42.66 Favored Pre-proline 0 CA--C 1.546 0.809 0 O-C-N 121.092 -1.005 . . . . 10.0 110.269 -176.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -72.67 49.42 1.49 Allowed 'Trans proline' 0 CA--C 1.548 1.189 1 C-N-CA 125.82 4.347 . . . . 10.0 112.93 178.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.04 5.56 0.02 OUTLIER Glycine 0 CA--C 1.54 1.636 0 C-N-CA 127.605 2.526 . . . . 10.0 114.741 -175.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.3 tp -52.07 -39.94 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-N 119.881 1.841 . . . . 10.0 113.342 -174.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.5 p -86.29 -29.75 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 C-N-CA 125.434 1.494 . . . . 10.0 113.796 177.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -60.2 -44.5 95.07 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.112 0.565 . . . . 10.0 109.548 175.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -63.97 -38.1 89.84 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 118.363 -0.827 . . . . 10.0 112.459 171.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.523 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -64.26 -43.4 94.96 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 120.37 1.441 . . . . 10.0 111.769 178.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.3 t -68.46 -46.31 80.63 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 125.157 1.383 . . . . 10.0 111.168 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -58.64 -42.13 87.59 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.222 1.409 . . . . 10.0 112.169 170.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.97 -43.05 99.85 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.643 -0.661 . . . . 10.0 110.995 175.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.73 -42.69 99.3 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 118.437 -0.792 . . . . 10.0 112.395 172.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -66.31 -43.34 86.53 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.685 1.129 . . . . 10.0 112.84 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 45.4 mtm180 -72.84 -30.63 64.17 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 118.863 0.756 . . . . 10.0 112.399 177.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.0 t -65.42 -40.82 93.8 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 118.658 -0.687 . . . . 10.0 110.586 168.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 25.8 tp -63.64 -44.29 94.29 Favored 'General case' 0 C--N 1.342 0.265 0 CA-C-N 119.098 0.863 . . . . 10.0 112.704 174.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -59.46 -41.28 89.34 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.003 0.82 . . . . 10.0 111.102 174.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.6 m -67.83 -38.4 83.15 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.947 0.899 . . . . 10.0 112.191 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -66.26 -42.31 88.68 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.233 1.413 . . . . 10.0 111.067 173.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.5 tp -73.1 -34.21 66.05 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 121.617 -0.677 . . . . 10.0 111.958 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -56.18 -28.44 58.18 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.175 0.59 . . . . 10.0 111.116 168.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -77.95 -5.97 87.08 Favored Glycine 0 CA--C 1.535 1.306 0 CA-C-O 118.936 -0.924 . . . . 10.0 114.757 174.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -137.56 -14.83 1.44 Allowed 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 115.889 1.811 . . . . 10.0 115.889 -171.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.6 mtp85 -136.7 -28.56 0.98 Allowed 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 116.354 -1.784 . . . . 10.0 115.458 -177.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . 0.261 13.9 pt-20 . . . . . 0 C--O 1.256 1.442 0 CA-C-O 116.498 -1.715 . . . . 10.0 113.436 -169.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.48 1.046 0 N-CA-C 108.919 -0.771 . . . . 10.0 108.919 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 t -164.69 151.68 11.14 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.709 1.203 . . . . 10.0 109.618 176.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.1 pp -138.61 173.93 11.07 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.001 2.12 . . . . 10.0 110.489 178.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.8 -173.26 2.67 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.531 0.681 . . . . 10.0 110.269 -170.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -55.75 125.83 22.93 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 107.571 -1.27 . . . . 10.0 107.571 168.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.1 mt -74.74 105.78 5.97 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 122.321 1.058 . . . . 10.0 108.579 -177.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.0 t -148.82 -175.75 5.07 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 127.756 2.422 . . . . 10.0 107.719 -178.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -38.15 -48.61 1.27 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 126.342 1.857 . . . . 10.0 113.037 -174.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.63 -61.12 7.59 Favored Glycine 0 CA--C 1.535 1.334 0 CA-C-N 118.792 0.724 . . . . 10.0 114.442 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -70.13 -33.16 71.47 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.952 -0.734 . . . . 10.0 111.553 -177.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.8 mt -69.97 -42.33 73.27 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.595 0.758 . . . . 10.0 111.843 176.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -63.46 -45.3 91.49 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 119.237 0.926 . . . . 10.0 110.784 173.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -57.74 -43.62 85.49 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.719 0.808 . . . . 10.0 112.228 174.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.4 mt -64.97 -41.5 92.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 O-C-N 121.573 -0.704 . . . . 10.0 110.761 173.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.6 p -58.8 -39.9 82.49 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.645 1.111 . . . . 10.0 112.047 174.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.6 t -66.51 -43.88 84.07 Favored 'General case' 0 C--N 1.341 0.216 0 C-N-CA 124.431 1.092 . . . . 10.0 111.102 175.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -59.45 -42.55 92.22 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.513 0.597 . . . . 10.0 112.011 174.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.8 mt -64.43 -49.75 70.25 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.472 0.709 . . . . 10.0 111.972 175.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -59.74 -47.65 84.81 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 118.187 0.448 . . . . 10.0 111.56 178.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -62.35 -36.77 83.27 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 118.642 -0.694 . . . . 10.0 111.977 175.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.0 m -61.04 -44.98 96.59 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.809 1.186 . . . . 10.0 111.465 178.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 52.0 mt -68.27 -44.33 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 O-C-N 122.117 -0.364 . . . . 10.0 110.832 175.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.5 t -57.31 -50.91 71.44 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 119.174 -0.441 . . . . 10.0 111.204 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.28 -38.78 77.67 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 114.316 1.228 . . . . 10.0 114.316 173.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -64.47 -45.75 86.03 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.543 1.065 . . . . 10.0 110.591 177.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.3 mt -66.2 -53.17 39.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-O 118.7 -0.667 . . . . 10.0 109.363 178.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.01 -16.12 60.91 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.237 1.199 . . . . 10.0 114.237 -177.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -109.44 7.06 24.75 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.583 0.957 . . . . 10.0 113.583 174.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -124.23 -20.48 5.25 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.763 1.394 . . . . 10.0 114.763 169.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.6 p -141.93 140.25 30.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 125.963 1.705 . . . . 10.0 110.163 171.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.6 t -76.45 136.58 39.41 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 121.298 -0.876 . . . . 10.0 112.107 -175.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.83 -24.84 3.82 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.467 1.107 . . . . 10.0 113.586 169.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -72.98 -11.19 60.48 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.194 1.183 . . . . 10.0 114.194 173.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -97.08 -15.34 21.04 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.732 1.613 . . . . 10.0 111.752 173.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.4 mm -101.93 128.25 54.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 128.04 2.536 . . . . 10.0 110.393 -168.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.9 t -77.37 -51.23 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 N-CA-C 109.11 -0.7 . . . . 10.0 109.11 167.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -164.6 176.99 8.41 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.67 0.788 . . . . 10.0 112.999 171.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 15.8 pt -134.6 141.76 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 125.404 1.482 . . . . 10.0 110.261 169.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -127.83 108.12 10.45 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.883 0.873 . . . . 10.0 109.13 -176.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.8 mt -122.0 124.29 70.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 N-CA-C 108.98 -0.748 . . . . 10.0 108.98 -171.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.3 m -119.65 117.82 29.31 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 125.541 1.536 . . . . 10.0 108.168 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.2 m -115.55 119.98 63.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 126.573 1.949 . . . . 10.0 107.691 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 88.4 mt -117.72 137.01 52.98 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 124.448 1.099 . . . . 10.0 108.589 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.6 p -139.79 134.27 37.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 C-N-CA 123.461 0.704 . . . . 10.0 110.036 176.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -153.22 159.97 42.72 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.844 1.258 . . . . 10.0 110.132 -171.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -142.87 102.14 3.97 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.447 -0.783 . . . . 10.0 109.716 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 48.5 m -131.78 97.69 4.26 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 120.964 -1.085 . . . . 10.0 109.771 171.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 57.97 -24.75 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 127.842 2.457 . . . . 10.0 115.911 -169.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -133.41 159.69 39.58 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 127.453 2.301 . . . . 10.0 110.026 168.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.6 tt -85.38 128.42 34.71 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.672 1.189 . . . . 10.0 108.489 179.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -117.36 126.77 53.23 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 124.6 1.16 . . . . 10.0 108.743 175.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.3 p -136.16 123.48 33.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 106.5 -1.667 . . . . 10.0 106.5 169.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -139.77 132.6 29.17 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.773 -0.825 . . . . 10.0 108.773 -167.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 21.3 mt -132.1 127.08 57.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 C-N-CA 123.672 0.789 . . . . 10.0 109.45 -168.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.4 m -127.31 131.11 50.52 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 125.242 1.417 . . . . 10.0 108.508 174.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.19 138.38 49.38 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.46 0.704 . . . . 10.0 110.144 177.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.32 145.14 48.19 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 126.076 1.75 . . . . 10.0 109.945 177.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 64.3 tp -128.16 109.14 11.23 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 114.551 -1.204 . . . . 10.0 109.936 -169.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -108.0 102.7 11.85 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 122.511 1.148 . . . . 10.0 108.707 178.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 27.1 mt -88.5 152.05 22.13 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 126.986 2.114 . . . . 10.0 110.475 175.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -60.23 147.29 40.57 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 120.856 -0.338 . . . . 10.0 111.432 169.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -68.25 38.76 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 128.555 2.742 . . . . 10.0 112.99 -178.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 50.9 tp -160.56 -27.88 0.06 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 128.52 2.728 . . . . 10.0 112.099 -169.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 25.9 m -74.28 153.75 39.24 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.29 1.436 . . . . 10.0 112.965 -178.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -141.09 94.41 2.7 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 123.034 1.397 . . . . 10.0 110.344 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.15 -167.97 1.67 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.324 1.85 . . . . 10.0 112.204 176.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -85.41 144.44 40.52 Favored Pre-proline 0 CA--C 1.544 0.726 0 O-C-N 120.948 -1.095 . . . . 10.0 110.09 -175.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -72.68 42.17 0.57 Allowed 'Trans proline' 0 CA--C 1.549 1.237 1 C-N-CA 125.555 4.17 . . . . 10.0 113.619 -179.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.09 12.68 0.02 OUTLIER Glycine 0 CA--C 1.539 1.54 0 C-N-CA 126.759 2.123 . . . . 10.0 114.234 177.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 9.3 tt -60.16 -33.88 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-N 119.078 1.439 . . . . 10.0 114.198 -168.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 75' ' ' VAL . 6.3 p -86.14 -39.0 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 C-N-CA 124.281 1.032 . . . . 10.0 112.046 174.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -55.27 -46.17 76.14 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.753 1.221 . . . . 10.0 110.846 175.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -63.97 -33.33 75.49 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.039 0.936 . . . . 10.0 112.517 171.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.97 -42.52 89.78 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.883 1.219 . . . . 10.0 111.715 173.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 71' ' ' VAL . 1.6 t -68.29 -43.82 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 118.243 0.474 . . . . 10.0 110.576 178.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -58.74 -41.62 86.9 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.651 1.18 . . . . 10.0 111.55 172.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.96 -39.61 95.2 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.619 -0.676 . . . . 10.0 111.631 173.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.24 -44.03 93.07 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.191 0.905 . . . . 10.0 112.391 171.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.429 ' CE2' HG12 ' A' ' 75' ' ' VAL . 39.4 m-85 -64.03 -43.46 95.5 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 119.354 0.979 . . . . 10.0 112.458 178.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 45.6 mtm105 -72.39 -30.22 64.47 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.519 0.6 . . . . 10.0 112.607 175.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.7 m -64.47 -43.4 94.3 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 118.694 -0.669 . . . . 10.0 110.616 169.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.37 -45.58 87.11 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.113 0.965 . . . . 10.0 112.021 177.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -58.88 -41.26 86.68 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.945 0.898 . . . . 10.0 111.103 175.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.7 m -69.67 -35.47 75.18 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.921 0.888 . . . . 10.0 112.239 174.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -68.54 -42.53 78.31 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 117.924 -1.036 . . . . 10.0 111.525 -176.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -73.22 -34.17 65.75 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 120.604 1.547 . . . . 10.0 111.614 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -57.05 -43.96 82.5 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 109.299 -0.63 . . . . 10.0 109.299 167.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -72.24 -1.04 48.74 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 124.827 1.203 . . . . 10.0 115.244 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -127.86 -17.85 4.37 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.035 1.417 . . . . 10.0 114.272 178.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 64.6 mtm180 -143.87 -16.88 0.6 Allowed 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 115.746 1.758 . . . . 10.0 115.746 -173.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 . . . . . 0 C--O 1.256 1.422 0 CA-C-O 116.342 -1.79 . . . . 10.0 111.056 -167.14 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ptt? . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 118.51 -0.757 . . . . 10.0 109.952 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.7 t -171.94 -60.05 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.346 1.458 . . . . 10.0 108.112 169.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.0 mp -73.8 172.67 11.09 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.278 1.031 . . . . 10.0 109.62 166.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -102.58 -155.74 0.53 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.918 1.687 . . . . 10.0 108.475 -177.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.27 124.96 14.48 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.502 -0.748 . . . . 10.0 109.342 168.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 51.9 mt -74.77 107.88 7.15 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 108.505 -0.924 . . . . 10.0 108.505 -173.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.4 t -147.31 -171.56 3.82 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 124.607 1.163 . . . . 10.0 111.946 -167.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -62.72 44.32 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 130.371 3.468 . . . . 10.0 113.19 172.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.4 -58.48 0.02 OUTLIER Glycine 0 CA--C 1.528 0.848 0 C-N-CA 126.754 2.121 . . . . 10.0 110.154 171.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -61.57 -42.82 99.41 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.73 0.812 . . . . 10.0 112.456 176.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 98.0 mt -70.27 -36.65 74.55 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.459 -0.776 . . . . 10.0 112.364 175.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -64.33 -39.53 94.09 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.328 1.051 . . . . 10.0 111.867 174.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -60.71 -42.03 96.45 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.585 1.154 . . . . 10.0 111.591 170.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.5 mt -64.73 -43.49 96.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 CA-C-N 118.745 0.702 . . . . 10.0 110.229 172.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.5 p -58.85 -37.6 76.86 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.435 1.016 . . . . 10.0 111.734 176.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.4 m -69.59 -43.85 71.96 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.864 1.266 . . . . 10.0 110.699 177.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -60.88 -41.34 95.78 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.256 1.023 . . . . 10.0 112.144 173.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.4 mt -64.01 -49.67 71.53 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.991 0.917 . . . . 10.0 111.866 174.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -55.77 -50.0 71.62 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-N 119.363 0.983 . . . . 10.0 111.417 174.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -63.15 -37.94 89.19 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 119.497 -0.287 . . . . 10.0 110.439 -176.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 80.5 m -61.39 -46.98 87.92 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.909 0.883 . . . . 10.0 111.916 175.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.434 HG23 ' HB1' ' A' ' 74' ' ' ALA . 77.5 mt -67.82 -47.72 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 CA-C-N 118.509 0.595 . . . . 10.0 110.688 178.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.8 m -59.63 -45.51 91.74 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.248 0.619 . . . . 10.0 111.243 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.8 -38.81 89.52 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 114.296 1.221 . . . . 10.0 114.296 169.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -62.02 -45.54 93.14 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 120.61 1.55 . . . . 10.0 110.829 177.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 91.4 mt -61.38 -52.94 55.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 C-N-CA 123.725 0.81 . . . . 10.0 109.591 175.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.1 mp -64.29 -14.24 54.68 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 114.304 1.224 . . . . 10.0 114.304 179.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -100.24 -1.42 36.45 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.874 1.27 . . . . 10.0 112.931 174.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -118.84 -15.86 9.35 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.348 1.24 . . . . 10.0 114.348 168.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.3 t -144.98 141.02 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 126.001 1.72 . . . . 10.0 108.757 -174.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.7 t -75.58 135.39 40.54 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.942 1.09 . . . . 10.0 113.942 -171.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.71 -24.7 3.57 Favored 'General case' 0 CA--C 1.55 0.95 0 O-C-N 120.484 -1.385 . . . . 10.0 113.358 167.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -75.67 -21.64 57.46 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.62 1.341 . . . . 10.0 114.62 173.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -110.41 -16.81 13.61 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 119.578 1.081 . . . . 10.0 112.638 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.1 mm -70.94 113.67 7.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 107.055 -1.461 . . . . 10.0 107.055 167.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.5 t -71.54 -49.99 42.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 N-CA-C 108.681 -0.859 . . . . 10.0 108.681 168.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -164.93 177.04 8.14 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.612 0.765 . . . . 10.0 112.2 171.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -134.82 140.07 46.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 C-N-CA 125.269 1.428 . . . . 10.0 109.479 168.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -120.35 110.35 16.44 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.122 -1.066 . . . . 10.0 108.122 -177.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 33.1 mt -128.17 122.02 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 123.753 0.821 . . . . 10.0 108.904 -171.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.6 m -115.58 117.71 31.07 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 125.626 1.57 . . . . 10.0 107.365 178.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -115.54 117.74 56.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 125.393 1.477 . . . . 10.0 107.466 178.01 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.94 139.07 51.68 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.719 1.208 . . . . 10.0 109.568 -177.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.1 p -139.82 140.8 35.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 123.034 0.534 . . . . 10.0 110.955 -178.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -150.5 160.03 44.07 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.047 0.939 . . . . 10.0 112.068 179.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -131.74 105.35 7.44 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 108.467 -0.938 . . . . 10.0 108.467 169.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.416 ' C ' ' H ' ' A' ' 49' ' ' GLU . 5.0 p -131.02 80.66 1.95 Allowed 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.357 1.463 . . . . 10.0 107.13 -173.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.5 t70 62.79 -27.1 0.07 Allowed 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 127.339 2.255 . . . . 10.0 113.966 -167.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.416 ' H ' ' C ' ' A' ' 47' ' ' THR . 37.7 tt0 -134.76 159.96 39.69 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 128.585 2.754 . . . . 10.0 109.574 172.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 35.0 tp -85.0 129.12 34.85 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.401 1.08 . . . . 10.0 109.135 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.1 tptp -132.19 146.2 51.86 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 122.43 1.11 . . . . 10.0 110.157 172.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.9 p -135.2 147.32 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 125.966 1.707 . . . . 10.0 107.807 174.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -123.11 142.92 50.36 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 125.241 1.416 . . . . 10.0 108.267 169.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.2 mt -131.05 108.81 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 N-CA-C 105.253 -2.129 . . . . 10.0 105.253 175.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.6 m -124.49 121.66 35.46 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 107.239 -1.393 . . . . 10.0 107.239 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.5 150.26 52.22 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.766 0.826 . . . . 10.0 112.32 -173.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -140.94 143.57 34.63 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.829 2.051 . . . . 10.0 109.331 -178.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 36.4 tp -128.29 121.87 30.3 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.471 1.508 . . . . 10.0 111.695 -169.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -114.1 107.12 15.22 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 121.447 0.641 . . . . 10.0 112.198 178.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -82.25 151.94 26.59 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 126.239 1.816 . . . . 10.0 111.546 168.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.411 ' C ' ' H ' ' A' ' 63' ' ' LEU . 25.8 t0 -61.48 147.18 46.13 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.299 0.64 . . . . 10.0 110.72 167.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -66.99 17.19 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.121 1.769 . . . . 10.0 113.877 -179.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.411 ' H ' ' C ' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -133.59 5.27 3.69 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 128.299 2.64 . . . . 10.0 112.456 -177.478 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.3 t -131.99 169.01 16.93 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.337 1.055 . . . . 10.0 112.132 172.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -153.72 94.77 1.81 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.224 1.81 . . . . 10.0 109.085 -172.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.9 -177.04 5.77 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.892 1.277 . . . . 10.0 112.538 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -85.43 134.44 40.3 Favored Pre-proline 0 CA--C 1.547 0.863 0 O-C-N 120.615 -1.303 . . . . 10.0 110.517 -173.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -74.53 63.34 5.54 Favored 'Trans proline' 0 CA--C 1.542 0.901 1 C-N-CA 125.399 4.066 . . . . 10.0 113.201 -169.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.09 -8.43 0.03 OUTLIER Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.74 1.162 . . . . 10.0 115.589 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 73.3 mt -56.07 -30.92 30.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 120.03 1.915 . . . . 10.0 113.697 -175.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 70.4 t -64.95 -54.68 26.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 CA-C-N 118.987 0.812 . . . . 10.0 111.187 172.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -58.12 -41.49 83.75 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.42 1.088 . . . . 10.0 110.761 177.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -63.88 -40.33 96.28 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 118.73 -0.652 . . . . 10.0 112.024 172.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.434 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -67.37 -41.62 84.78 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.649 1.113 . . . . 10.0 111.1 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.74 -46.99 87.52 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 C-N-CA 125.066 1.346 . . . . 10.0 110.875 176.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -58.69 -42.15 87.9 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.672 1.589 . . . . 10.0 112.302 171.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.16 -42.11 96.87 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.51 -0.744 . . . . 10.0 111.302 175.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.35 -39.6 94.99 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 118.312 -0.852 . . . . 10.0 112.403 172.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -63.88 -43.42 96.09 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 119.65 1.114 . . . . 10.0 112.011 173.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 74.5 mtt-85 -63.95 -44.06 93.92 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 120.753 -1.217 . . . . 10.0 110.562 176.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.8 t -68.25 -16.71 64.07 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 117.144 -1.408 . . . . 10.0 114.43 175.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 39.6 tp -87.28 -47.13 9.08 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 120.191 1.36 . . . . 10.0 111.807 169.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.31 -41.23 77.03 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 118.948 -0.549 . . . . 10.0 110.552 -175.036 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.8 m -69.39 -18.33 63.75 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.464 0.912 . . . . 10.0 113.464 172.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -80.99 -42.1 21.71 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.295 1.438 . . . . 10.0 110.526 174.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.75 -34.69 77.32 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 120.87 -1.144 . . . . 10.0 112.042 172.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -70.16 2.89 3.2 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 127.771 2.428 . . . . 10.0 112.958 170.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -125.81 -5.57 6.32 Favored Glycine 0 CA--C 1.531 1.054 0 CA-C-O 118.736 -1.036 . . . . 10.0 114.37 173.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -128.91 -17.05 4.02 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.012 1.406 . . . . 10.0 114.657 -175.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -140.64 -46.72 0.41 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.465 1.106 . . . . 10.0 113.714 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 . . . . . 0 C--O 1.251 1.134 0 CA-C-O 116.083 -1.913 . . . . 10.0 111.44 -169.273 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.422 ' HA ' ' HG2' ' A' ' 91' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.796 0 N-CA-C 108.517 -0.919 . . . . 10.0 108.517 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t 56.98 -178.43 0.05 Allowed 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.545 1.538 . . . . 10.0 113.662 -168.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -132.98 -170.49 2.47 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.44 1.896 . . . . 10.0 111.734 -173.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 53.0 ttt85 -109.89 159.7 17.01 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.666 1.187 . . . . 10.0 110.131 -174.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.75 105.12 0.11 Allowed 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.569 1.148 . . . . 10.0 110.722 174.501 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 69.8 mt -74.79 112.5 11.06 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 109.639 -0.504 . . . . 10.0 109.639 -172.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.1 t -147.0 -173.57 4.27 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.801 1.24 . . . . 10.0 109.396 174.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -47.63 -39.89 18.16 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.326 1.45 . . . . 10.0 113.36 -172.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.89 -53.47 37.31 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 123.809 0.719 . . . . 10.0 113.28 176.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -65.28 -39.41 92.55 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.197 1.399 . . . . 10.0 111.758 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.21 -39.49 89.66 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.986 0.914 . . . . 10.0 113.254 171.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -65.17 -42.38 93.75 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 119.468 1.031 . . . . 10.0 111.43 171.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -62.29 -41.99 98.97 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.489 1.04 . . . . 10.0 111.964 175.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 52.5 mt -64.79 -43.61 96.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 O-C-N 121.153 -0.967 . . . . 10.0 110.463 174.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.3 m -63.62 -41.59 98.26 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.413 0.685 . . . . 10.0 111.223 178.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.0 t -62.1 -43.93 97.77 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.995 1.718 . . . . 10.0 111.734 172.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -61.17 -40.7 94.87 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.076 0.95 . . . . 10.0 112.137 175.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.8 mt -65.37 -51.29 61.42 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 123.125 0.57 . . . . 10.0 111.54 173.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.9 t-160 -57.9 -47.97 81.25 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.211 0.604 . . . . 10.0 111.595 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -63.89 -35.56 81.07 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 118.14 -0.933 . . . . 10.0 112.104 175.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.0 m -61.09 -47.13 87.73 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.915 1.234 . . . . 10.0 111.284 174.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.452 HG23 ' HB1' ' A' ' 74' ' ' ALA . 50.8 mt -65.14 -46.06 92.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-N 118.48 0.582 . . . . 10.0 110.229 177.292 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.9 t -57.62 -48.36 79.65 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.175 0.59 . . . . 10.0 111.626 178.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -63.16 -38.88 92.9 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.781 -0.575 . . . . 10.0 112.242 175.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -62.49 -45.65 92.03 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 119.338 0.972 . . . . 10.0 110.734 176.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.9 mt -61.48 -52.97 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-O 118.059 -0.972 . . . . 10.0 109.477 176.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.64 -28.52 68.62 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.692 1.133 . . . . 10.0 113.691 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -82.77 -5.7 59.05 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.046 1.128 . . . . 10.0 114.046 172.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -128.1 -29.95 2.48 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 115.325 1.602 . . . . 10.0 115.325 -174.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.6 t -137.25 144.42 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 126.597 1.959 . . . . 10.0 109.448 178.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 45.7 t -85.51 136.58 33.36 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 115.422 1.638 . . . . 10.0 115.422 -168.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.95 -24.46 3.67 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 120.617 -1.302 . . . . 10.0 113.262 167.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -77.46 -5.24 49.19 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.888 1.44 . . . . 10.0 114.888 175.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -128.88 -22.99 3.15 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.701 1.601 . . . . 10.0 112.554 177.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.1 mm -70.85 112.16 5.41 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 N-CA-C 106.763 -1.569 . . . . 10.0 106.763 168.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.6 t -68.91 -47.76 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 C-N-CA 124.03 0.932 . . . . 10.0 109.418 171.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -161.24 174.56 13.42 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 121.523 0.677 . . . . 10.0 112.599 169.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.7 pt -136.23 138.56 46.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 C-N-CA 125.004 1.321 . . . . 10.0 110.191 169.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -122.74 120.53 33.91 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 107.698 -1.223 . . . . 10.0 107.698 176.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 59.2 mt -131.16 117.52 37.27 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.145 0 N-CA-C 108.095 -1.076 . . . . 10.0 108.095 -174.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 89.9 m -119.7 117.65 28.84 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 125.023 1.329 . . . . 10.0 107.6 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 m -115.68 130.17 70.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 125.863 1.665 . . . . 10.0 108.691 -178.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -117.69 139.01 51.61 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 124.66 1.184 . . . . 10.0 108.796 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.0 p -139.72 133.21 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 C-N-CA 124.194 0.998 . . . . 10.0 109.148 174.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -150.3 159.34 44.52 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.105 1.362 . . . . 10.0 109.806 -170.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -145.5 100.36 3.43 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 108.315 -0.994 . . . . 10.0 108.315 176.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 99.6 m -131.14 80.97 1.96 Allowed 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.025 1.73 . . . . 10.0 107.392 -172.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.2 t70 66.14 -47.44 0.42 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 127.514 2.325 . . . . 10.0 112.06 -167.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -98.41 157.54 16.14 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.807 1.643 . . . . 10.0 110.702 167.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.1 tp -85.35 129.09 34.89 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 108.112 -1.07 . . . . 10.0 108.112 168.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -128.65 137.5 51.68 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.55 0.69 . . . . 10.0 110.655 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.1 p -136.11 138.93 46.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 C-N-CA 125.273 1.429 . . . . 10.0 107.8 170.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -140.13 146.13 38.44 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.993 0.917 . . . . 10.0 111.187 179.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.5 mt -132.3 122.17 47.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 C-N-CA 124.76 1.224 . . . . 10.0 109.717 -168.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.0 m -124.65 125.57 44.34 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 124.309 1.044 . . . . 10.0 109.124 171.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.25 145.17 51.79 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.908 0.883 . . . . 10.0 110.965 177.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -131.06 142.7 50.32 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 125.566 1.546 . . . . 10.0 110.102 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -120.28 107.11 12.57 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 126.096 1.758 . . . . 10.0 107.776 -176.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -100.03 112.84 25.13 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 107.847 -1.168 . . . . 10.0 107.847 175.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 23.6 mt -112.94 151.94 29.94 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 126.54 1.936 . . . . 10.0 110.553 -173.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.431 ' C ' ' H ' ' A' ' 63' ' ' LEU . 46.4 t0 -66.3 147.2 53.66 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.435 -0.348 . . . . 10.0 111.069 176.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -69.23 24.79 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.238 1.815 . . . . 10.0 113.302 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.431 ' H ' ' C ' ' A' ' 61' ' ' ASP . 96.6 mt -139.89 7.47 2.27 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 128.998 2.919 . . . . 10.0 111.847 -175.171 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.7 t -134.22 163.24 30.05 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.922 0.889 . . . . 10.0 112.772 172.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -145.09 94.68 2.56 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 127.257 2.223 . . . . 10.0 108.867 -172.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.02 -178.4 6.09 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.55 1.14 . . . . 10.0 112.313 172.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -85.33 144.99 41.59 Favored Pre-proline 0 CA--C 1.548 0.891 0 O-C-N 120.897 -1.127 . . . . 10.0 111.548 -169.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -74.29 47.72 1.64 Allowed 'Trans proline' 0 CA--C 1.547 1.137 1 C-N-CA 126.033 4.489 . . . . 10.0 114.065 -171.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.01 8.87 0.02 OUTLIER Glycine 0 CA--C 1.538 1.514 0 C-N-CA 127.132 2.301 . . . . 10.0 114.467 176.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -64.16 -27.3 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-N 119.7 1.75 . . . . 10.0 113.599 -169.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.5 t -70.77 -53.76 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 125.488 1.515 . . . . 10.0 109.895 173.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.99 -45.08 79.09 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 126.848 2.059 . . . . 10.0 110.438 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -64.56 -35.41 80.9 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 118.467 -0.778 . . . . 10.0 112.717 172.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.452 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -68.21 -42.06 80.39 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 120.162 1.346 . . . . 10.0 111.298 176.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 40.3 t -67.69 -45.2 85.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 125.626 1.57 . . . . 10.0 111.069 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -58.55 -42.86 88.85 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.915 1.686 . . . . 10.0 111.425 170.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.95 -41.4 99.5 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 118.45 0.568 . . . . 10.0 111.085 175.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.78 -39.8 95.13 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 118.902 0.774 . . . . 10.0 113.081 171.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -62.1 -43.13 99.51 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.508 1.049 . . . . 10.0 112.333 173.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 46.2 mtt-85 -66.88 -36.36 82.11 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.168 0.895 . . . . 10.0 111.77 173.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.4 t -63.0 -35.42 80.14 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.107 0.963 . . . . 10.0 111.123 174.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -63.77 -43.98 94.77 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.964 0.906 . . . . 10.0 112.103 172.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -62.31 -41.39 98.48 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 118.632 0.651 . . . . 10.0 111.149 174.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 73.0 m -65.07 -32.39 74.08 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.727 0.811 . . . . 10.0 112.718 174.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -66.93 -42.37 85.44 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.279 -0.888 . . . . 10.0 111.402 175.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -71.84 -34.14 69.03 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 119.226 0.921 . . . . 10.0 111.799 175.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -60.29 -36.54 78.09 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 118.854 0.752 . . . . 10.0 110.637 168.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -73.79 1.87 43.91 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 125.053 1.311 . . . . 10.0 114.626 176.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -127.96 -64.42 0.96 Allowed 'General case' 0 C--N 1.339 0.147 0 CA-C-N 118.397 1.099 . . . . 10.0 111.46 175.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 71.2 mtm180 -64.26 -42.08 96.64 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 117.6 -1.191 . . . . 10.0 112.629 -172.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.422 ' HG2' ' HA ' ' A' ' 1' ' ' MET 0.263 12.9 pt-20 . . . . . 0 C--O 1.253 1.282 0 O-C-N 126.189 2.181 . . . . 10.0 113.64 -169.115 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ttt . . . . . 0 N--CA 1.483 1.221 0 CA-C-O 118.451 -0.785 . . . . 10.0 109.381 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.4 m -55.27 103.92 0.11 Allowed 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.492 1.117 . . . . 10.0 112.998 176.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 mt -82.47 -175.3 5.65 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.865 1.666 . . . . 10.0 111.827 171.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.3 mtt85 -92.33 -162.33 0.92 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.357 1.063 . . . . 10.0 109.59 178.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.32 117.58 6.31 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 107.149 -1.426 . . . . 10.0 107.149 167.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 77.2 mt -74.32 105.99 5.74 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 122.602 1.191 . . . . 10.0 107.911 -169.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.7 p -144.87 178.38 8.06 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 127.647 2.379 . . . . 10.0 108.509 -167.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -48.01 -38.1 16.3 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.225 1.01 . . . . 10.0 113.664 -175.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.61 -63.03 5.17 Favored Glycine 0 CA--C 1.529 0.964 0 C-N-CA 123.804 0.716 . . . . 10.0 112.747 173.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.98 -37.5 74.33 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 117.463 0.631 . . . . 10.0 112.229 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.41 -39.85 85.54 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.588 1.329 . . . . 10.0 114.588 172.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -68.36 -37.82 80.83 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 120.025 1.284 . . . . 10.0 111.857 172.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -68.71 -38.69 80.44 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.009 0.924 . . . . 10.0 112.176 175.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.1 mt -64.78 -48.1 85.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 119.224 0.92 . . . . 10.0 109.349 170.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.2 m -58.94 -41.02 86.4 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.416 -0.802 . . . . 10.0 111.205 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.1 m -63.6 -43.7 96.15 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.167 1.387 . . . . 10.0 112.39 172.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -59.43 -42.59 92.24 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 118.987 0.812 . . . . 10.0 112.2 176.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.411 HD21 HD13 ' A' ' 82' ' ' LEU . 1.8 mm? -72.07 -39.03 69.31 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 117.877 -1.059 . . . . 10.0 112.552 177.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -56.28 -50.08 72.41 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 119.712 1.142 . . . . 10.0 111.292 169.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -64.62 -35.29 80.55 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 118.739 -0.648 . . . . 10.0 111.356 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.7 m -61.12 -47.26 87.1 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.21 0.914 . . . . 10.0 111.727 176.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.508 HG23 ' HB1' ' A' ' 74' ' ' ALA . 52.1 mt -69.31 -46.98 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 CA-C-N 118.547 0.612 . . . . 10.0 110.418 176.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.0 m -59.84 -43.91 94.38 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 118.356 0.525 . . . . 10.0 111.972 -179.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -65.86 -38.77 89.71 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 118.584 -0.722 . . . . 10.0 111.864 173.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -61.83 -45.91 91.76 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-N 119.672 1.124 . . . . 10.0 110.113 175.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.8 mt -61.29 -52.95 55.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-O 118.166 -0.921 . . . . 10.0 109.568 177.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.4 mp -62.19 -18.05 59.9 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.394 1.257 . . . . 10.0 114.394 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -99.71 0.56 42.07 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.539 1.136 . . . . 10.0 113.348 172.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.4 tpt85 -124.61 -26.57 3.82 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.811 1.244 . . . . 10.0 113.523 -176.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.2 t -143.21 145.84 22.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 127.727 2.411 . . . . 10.0 108.278 173.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.5 t -80.53 132.33 35.66 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 120.499 -1.376 . . . . 10.0 112.057 -175.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.26 -24.94 4.94 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.707 1.203 . . . . 10.0 113.333 168.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -70.68 -12.8 61.78 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.733 1.012 . . . . 10.0 113.733 174.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -97.99 -14.3 20.64 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.432 1.493 . . . . 10.0 111.986 172.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 69.3 mt -94.67 126.03 47.18 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 124.879 1.272 . . . . 10.0 109.696 -168.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.0 t -72.12 -52.4 24.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 C-N-CA 124.471 1.108 . . . . 10.0 108.69 169.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -162.12 174.12 13.39 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.624 0.77 . . . . 10.0 112.777 169.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.4 pt -133.11 133.04 58.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 C-N-CA 125.609 1.564 . . . . 10.0 109.542 171.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -117.67 107.18 13.9 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 108.697 -0.853 . . . . 10.0 108.697 -174.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 74.0 mt -131.02 117.59 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 123.493 0.717 . . . . 10.0 109.175 -172.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 96.7 m -119.91 129.82 54.53 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 125.531 1.532 . . . . 10.0 109.418 177.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.7 t -115.77 136.1 53.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 C-N-CA 124.534 1.134 . . . . 10.0 108.687 174.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -117.66 135.9 53.69 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.086 1.355 . . . . 10.0 108.277 174.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.6 p -139.96 130.94 31.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 123.625 0.77 . . . . 10.0 110.203 173.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -141.91 160.05 40.98 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.769 1.228 . . . . 10.0 111.223 -173.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -135.92 108.43 7.41 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 107.941 -1.133 . . . . 10.0 107.941 171.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 95.1 m -131.66 86.64 2.37 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.006 -1.059 . . . . 10.0 109.23 174.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.6 t70 65.0 -35.12 0.18 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 127.172 2.189 . . . . 10.0 113.434 -168.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -122.96 156.62 34.38 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.678 1.991 . . . . 10.0 110.04 168.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 tt -85.43 128.98 34.91 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.058 1.343 . . . . 10.0 109.068 176.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -128.04 139.98 52.23 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.797 1.239 . . . . 10.0 110.072 177.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 11.5 p -136.4 140.63 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 124.682 1.193 . . . . 10.0 109.917 174.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -141.03 146.24 36.95 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.581 1.552 . . . . 10.0 110.793 -173.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.6 mm -130.73 131.19 64.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 125.193 1.397 . . . . 10.0 108.617 -170.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.0 t -131.58 122.15 25.59 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.572 1.149 . . . . 10.0 109.409 169.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.28 143.93 50.91 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.02 0.928 . . . . 10.0 112.072 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.12 147.37 41.84 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 126.046 1.739 . . . . 10.0 111.221 177.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 59.5 tp -128.12 118.31 23.19 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 124.97 1.308 . . . . 10.0 110.678 -175.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -114.15 103.03 10.71 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 122.119 0.962 . . . . 10.0 109.854 178.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 42.9 mt -89.35 152.26 21.62 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 126.992 2.117 . . . . 10.0 111.492 176.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.437 ' C ' ' H ' ' A' ' 63' ' ' LEU . 37.5 t0 -62.56 147.51 48.86 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.276 170.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -64.95 18.95 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 127.773 2.429 . . . . 10.0 113.53 -178.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.437 ' H ' ' C ' ' A' ' 61' ' ' ASP . 97.3 mt -138.63 7.25 2.53 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 128.733 2.813 . . . . 10.0 112.306 -173.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.3 t -125.88 156.43 39.65 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.903 0.881 . . . . 10.0 111.682 169.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -140.59 94.64 2.75 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 126.905 2.082 . . . . 10.0 108.118 -174.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.86 178.51 7.27 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.704 1.201 . . . . 10.0 111.819 173.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -85.42 145.01 41.4 Favored Pre-proline 0 CA--C 1.546 0.814 0 O-C-N 120.881 -1.137 . . . . 10.0 112.05 -169.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -73.07 61.45 3.96 Favored 'Trans proline' 0 CA--C 1.543 0.933 1 C-N-CA 125.863 4.376 . . . . 10.0 112.79 -173.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 166.86 -10.3 0.06 OUTLIER Glycine 0 CA--C 1.536 1.401 0 C-N-CA 126.645 2.069 . . . . 10.0 114.034 -175.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.2 tt -57.98 -26.03 27.59 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 CA-C-N 119.431 1.615 . . . . 10.0 114.54 -173.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 96.9 t -76.85 -53.65 14.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 C-N-CA 125.387 1.475 . . . . 10.0 110.477 171.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -53.11 -36.15 60.44 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.13 1.372 . . . . 10.0 111.721 177.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -63.65 -37.28 86.73 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 122.975 0.51 . . . . 10.0 111.625 171.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.508 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -69.23 -42.2 75.99 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 119.122 0.874 . . . . 10.0 111.006 178.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.484 HG12 ' CE2' ' A' ' 79' ' ' TYR . 1.5 t -70.36 -42.99 78.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-O 118.927 -0.559 . . . . 10.0 110.625 179.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -58.7 -42.07 87.78 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.283 1.433 . . . . 10.0 111.738 171.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.92 -41.87 99.61 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 118.82 -0.61 . . . . 10.0 111.246 174.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.5 -45.17 88.43 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.208 0.913 . . . . 10.0 112.704 173.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.484 ' CE2' HG12 ' A' ' 75' ' ' VAL . 46.8 m-85 -63.4 -43.66 96.89 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.305 0.957 . . . . 10.0 111.696 178.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -72.39 -37.26 68.75 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.108 0.963 . . . . 10.0 112.6 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.9 t -63.11 -43.69 97.73 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 119.153 -0.451 . . . . 10.0 110.165 172.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.411 HD13 HD21 ' A' ' 18' ' ' LEU . 14.5 tp -64.47 -47.12 80.17 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 118.115 0.416 . . . . 10.0 112.071 176.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -59.56 -41.53 90.35 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 119.197 -0.43 . . . . 10.0 111.383 177.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.4 t -72.22 -22.45 61.26 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 113.272 0.841 . . . . 10.0 113.272 175.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -80.98 -41.9 22.05 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.835 1.254 . . . . 10.0 112.907 178.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.82 -34.2 77.8 Favored 'General case' 0 C--N 1.35 0.594 0 CA-C-N 118.856 0.753 . . . . 10.0 110.84 169.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -71.94 8.8 1.1 Allowed 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 126.299 1.84 . . . . 10.0 113.306 169.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -134.41 41.74 1.43 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.039 -1.224 . . . . 10.0 110.039 168.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -167.41 -55.37 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.064 1.346 . . . . 10.0 113.358 -171.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 29.2 mtm105 -95.21 -11.93 27.2 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.616 0.766 . . . . 10.0 112.195 177.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 . . . . . 0 C--O 1.25 1.11 1 C-N-CA 132.616 4.366 . . . . 10.0 104.803 167.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.5 mtm . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 118.217 -0.897 . . . . 10.0 109.146 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.7 t 53.39 74.79 0.29 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.522 1.129 . . . . 10.0 113.163 175.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 62.3 mt -49.43 152.89 1.2 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.178 1.391 . . . . 10.0 114.43 -174.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 89.5 mtt-85 -137.32 -168.57 2.33 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 126.677 1.991 . . . . 10.0 109.951 -169.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.83 112.08 0.87 Allowed 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 107.332 -1.358 . . . . 10.0 107.332 166.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.8 mt -74.75 126.62 31.28 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 123.585 0.553 . . . . 10.0 111.402 -167.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.0 p -130.17 178.8 6.29 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 126.637 1.975 . . . . 10.0 109.754 177.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -48.01 -29.77 3.76 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.625 1.17 . . . . 10.0 113.493 174.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.19 -49.85 5.73 Favored Glycine 0 CA--C 1.532 1.13 0 CA-C-N 118.797 0.726 . . . . 10.0 113.406 176.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.62 -42.17 98.21 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.012 0.925 . . . . 10.0 111.01 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.6 mt -68.33 -35.19 77.41 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 118.365 -0.826 . . . . 10.0 111.432 176.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . 0.269 14.5 t0 -70.15 -35.71 74.22 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 114.548 1.314 . . . . 10.0 114.548 170.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -54.72 -42.86 72.05 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 120.277 1.399 . . . . 10.0 109.729 169.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.4 mt -64.89 -46.38 91.97 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 CA-C-O 118.318 -0.849 . . . . 10.0 111.414 172.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -43.17 89.25 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 120.625 1.557 . . . . 10.0 111.35 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.4 t -68.81 -37.47 79.24 Favored 'General case' 0 C--N 1.339 0.109 0 CA-C-O 118.026 -0.988 . . . . 10.0 111.829 175.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -60.68 -42.46 97.16 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.526 1.057 . . . . 10.0 111.688 176.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.439 HD21 HD13 ' A' ' 82' ' ' LEU . 1.5 mm? -72.96 -41.8 64.05 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 118.286 -0.864 . . . . 10.0 112.92 175.306 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -56.41 -47.87 78.13 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.335 0.97 . . . . 10.0 111.282 174.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -63.63 -38.47 91.25 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.246 0.618 . . . . 10.0 111.906 175.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 91.6 m -62.16 -46.46 88.86 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 119.363 0.983 . . . . 10.0 111.567 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.465 HG23 ' HB1' ' A' ' 74' ' ' ALA . 57.4 mt -69.63 -43.11 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 CA-C-N 118.361 0.528 . . . . 10.0 110.601 177.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 t -56.99 -50.7 71.91 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.075 0.55 . . . . 10.0 111.728 176.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.82 -38.97 87.26 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 118.175 -0.917 . . . . 10.0 113.278 173.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -61.53 -45.62 93.39 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 120.039 1.291 . . . . 10.0 111.119 175.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 70.0 mt -64.24 -53.13 47.15 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 123.962 0.905 . . . . 10.0 109.273 178.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.43 -19.41 64.68 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 113.878 1.066 . . . . 10.0 113.878 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -100.11 0.93 41.68 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.351 1.061 . . . . 10.0 112.989 175.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.4 ' HB3' HD11 ' A' ' 70' ' ' ILE . 47.6 mtt180 -116.12 -34.35 4.73 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.974 1.472 . . . . 10.0 114.974 169.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.9 p -138.22 140.14 40.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 124.912 1.285 . . . . 10.0 109.798 -174.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.1 t -78.92 135.96 37.12 Favored 'General case' 0 C--O 1.225 -0.217 0 O-C-N 121.515 -0.74 . . . . 10.0 110.956 -176.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.41 -25.13 3.57 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.642 1.177 . . . . 10.0 113.488 169.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -61.3 -20.23 62.67 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.992 1.108 . . . . 10.0 113.992 171.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -95.6 -13.37 24.44 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.457 1.903 . . . . 10.0 111.498 176.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.9 mm -106.6 123.86 61.77 Favored 'Isoleucine or valine' 0 C--N 1.343 0.289 0 C-N-CA 125.319 1.448 . . . . 10.0 110.198 -168.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 38.2 t -70.64 -51.88 33.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 C-N-CA 124.111 0.964 . . . . 10.0 109.477 169.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -165.96 177.16 7.26 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.493 0.717 . . . . 10.0 112.321 175.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.8 pt -132.27 142.71 42.0 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 125.165 1.386 . . . . 10.0 111.233 170.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -113.53 121.71 45.07 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 107.656 -1.239 . . . . 10.0 107.656 167.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.2 mt -131.21 120.23 46.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 108.219 -1.03 . . . . 10.0 108.219 174.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 86.1 m -119.77 124.87 47.23 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 124.79 1.236 . . . . 10.0 108.836 176.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.7 t -111.55 117.92 56.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 N-CA-C 106.566 -1.642 . . . . 10.0 106.566 170.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.0 mt -102.97 139.12 38.95 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 125.222 1.409 . . . . 10.0 108.163 174.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.9 p -139.08 139.4 40.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 108.309 -0.997 . . . . 10.0 108.309 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -148.75 153.57 38.36 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.924 0.89 . . . . 10.0 110.282 -169.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -133.48 102.48 5.53 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 121.433 0.635 . . . . 10.0 109.956 170.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.2 t -131.14 80.92 1.96 Allowed 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.727 1.211 . . . . 10.0 108.589 -178.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.9 t70 65.29 -39.55 0.28 Allowed 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 127.813 2.445 . . . . 10.0 113.247 -167.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -111.13 159.62 17.67 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 127.563 2.345 . . . . 10.0 111.064 168.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -85.44 129.0 34.91 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.762 1.225 . . . . 10.0 108.433 171.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -122.69 147.15 46.8 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.464 0.65 . . . . 10.0 111.148 169.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.5 p -136.13 132.72 50.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 126.033 1.733 . . . . 10.0 107.278 169.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -138.87 130.44 27.38 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.996 1.318 . . . . 10.0 107.509 -169.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.2 mt -126.29 131.6 71.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 123.034 0.534 . . . . 10.0 109.642 -169.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.4 t -131.44 126.56 35.4 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 125.144 1.378 . . . . 10.0 109.173 175.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.12 149.56 52.54 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.866 0.867 . . . . 10.0 111.164 177.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.26 146.67 40.7 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.626 1.57 . . . . 10.0 110.185 175.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 35.2 tp -127.94 104.24 7.69 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 125.82 1.648 . . . . 10.0 109.2 -172.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -91.48 104.67 17.15 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.286 -1.005 . . . . 10.0 108.286 -178.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.4 mt -82.01 151.75 26.99 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 124.995 1.318 . . . . 10.0 110.027 175.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.428 ' C ' ' H ' ' A' ' 63' ' ' LEU . 25.9 t0 -62.38 147.12 49.44 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.7 -0.682 . . . . 10.0 110.728 168.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -70.43 25.37 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 126.048 1.739 . . . . 10.0 113.088 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.428 ' H ' ' C ' ' A' ' 61' ' ' ASP . 1.0 OUTLIER -152.8 7.61 0.42 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 129.135 2.974 . . . . 10.0 111.776 -171.532 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.4 m -132.37 149.46 52.35 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.678 1.591 . . . . 10.0 111.342 -178.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -144.1 94.57 2.6 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.414 1.086 . . . . 10.0 110.366 -169.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.57 -171.53 3.68 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.922 1.289 . . . . 10.0 111.613 168.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -85.36 142.26 37.68 Favored Pre-proline 0 CA--C 1.547 0.858 0 O-C-N 120.589 -1.319 . . . . 10.0 112.041 -169.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -74.12 57.84 4.09 Favored 'Trans proline' 0 CA--C 1.544 1.007 1 C-N-CA 125.8 4.333 . . . . 10.0 113.049 -173.148 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 171.15 -10.88 0.04 OUTLIER Glycine 0 CA--C 1.536 1.349 0 C-N-CA 126.461 1.982 . . . . 10.0 114.34 -176.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.4 HD11 ' HB3' ' A' ' 29' ' ' ARG . 2.2 tt -53.64 -30.54 18.64 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 C-N-CA 125.568 1.547 . . . . 10.0 114.502 -172.006 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.8 t -75.17 -54.0 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.752 1.221 . . . . 10.0 110.439 177.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -58.34 -41.04 83.74 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.542 1.137 . . . . 10.0 111.347 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -63.93 -31.63 72.88 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 118.559 -0.734 . . . . 10.0 112.32 172.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.465 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -67.54 -40.41 85.01 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.88 1.218 . . . . 10.0 111.241 174.243 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.418 HG12 ' CE2' ' A' ' 79' ' ' TYR . 1.6 t -73.21 -43.07 57.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 118.372 -0.823 . . . . 10.0 110.839 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -58.74 -39.03 79.73 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 119.665 1.12 . . . . 10.0 110.662 169.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.83 -41.11 99.19 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 120.394 1.452 . . . . 10.0 111.222 175.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.96 -45.09 96.12 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.947 0.794 . . . . 10.0 112.772 170.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.418 ' CE2' HG12 ' A' ' 75' ' ' VAL . 50.7 m-85 -63.5 -43.03 98.41 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.403 1.001 . . . . 10.0 112.305 177.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.1 mmp_? -67.34 -43.25 82.0 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.073 1.749 . . . . 10.0 111.52 177.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 37.6 m -63.14 -45.59 91.23 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-O 118.322 -0.847 . . . . 10.0 110.059 174.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.439 HD13 HD21 ' A' ' 18' ' ' LEU . 15.4 tp -63.35 -41.38 98.86 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-N 118.685 0.675 . . . . 10.0 112.304 178.255 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -59.35 -41.53 89.43 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.846 0.858 . . . . 10.0 110.862 173.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 29.9 p -69.22 -31.72 70.49 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.25 0.833 . . . . 10.0 113.25 176.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -80.96 -42.23 21.59 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.449 1.1 . . . . 10.0 112.431 -178.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -69.64 -26.5 64.45 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.788 0.835 . . . . 10.0 111.546 175.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -59.44 -21.26 59.76 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 119.199 0.909 . . . . 10.0 111.383 166.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -84.4 -1.02 89.46 Favored Glycine 0 CA--C 1.536 1.398 0 CA-C-O 118.881 -0.955 . . . . 10.0 114.592 171.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -137.83 -2.47 1.91 Allowed 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 114.782 1.401 . . . . 10.0 114.782 -173.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.403 ' CZ ' ' HB3' ' A' ' 90' ' ' ARG . 7.9 mtp-105 -142.42 -47.04 0.34 Allowed 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 114.985 1.476 . . . . 10.0 114.985 -178.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 . . . . . 0 CA--C 1.556 1.187 0 C-N-CA 125.586 1.554 . . . . 10.0 112.201 -164.441 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.4 mtp . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 117.19 -1.386 . . . . 10.0 107.51 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m -63.81 -32.6 74.17 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.651 1.114 . . . . 10.0 112.716 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -143.29 -178.14 5.71 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.924 1.689 . . . . 10.0 112.415 -172.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -113.23 -179.2 3.57 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 126.317 1.847 . . . . 10.0 110.98 -176.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -59.32 113.17 2.03 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 108.376 -0.972 . . . . 10.0 108.376 168.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 mp -74.55 122.27 22.85 Favored 'General case' 0 N--CA 1.455 -0.209 0 O-C-N 123.783 0.677 . . . . 10.0 110.765 -168.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.9 t -141.27 -171.16 3.23 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.509 1.524 . . . . 10.0 109.488 173.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -50.32 -39.5 46.03 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.734 1.214 . . . . 10.0 112.166 -173.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.26 -46.69 93.4 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 123.837 0.732 . . . . 10.0 114.189 177.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.82 -44.0 94.55 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.803 1.301 . . . . 10.0 110.514 176.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.7 mp -66.01 -36.69 83.96 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.076 0.95 . . . . 10.0 113.263 176.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -66.84 -44.18 81.74 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.279 1.032 . . . . 10.0 111.562 170.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -62.01 -44.09 97.45 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 118.967 0.803 . . . . 10.0 111.541 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -64.75 -43.03 96.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 123.233 0.613 . . . . 10.0 110.721 173.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.4 m -61.33 -37.4 83.12 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 121.642 -0.661 . . . . 10.0 112.149 176.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.7 t -68.31 -43.94 76.52 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-O 117.86 -1.067 . . . . 10.0 110.841 171.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -56.94 -38.92 73.58 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 120.48 1.491 . . . . 10.0 111.974 177.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.3 mt -65.5 -51.45 59.93 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.68 0.792 . . . . 10.0 112.044 171.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -59.63 -46.36 89.24 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.918 0.781 . . . . 10.0 112.25 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -60.66 -42.41 96.97 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.061 1.344 . . . . 10.0 110.825 174.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.6 m -61.01 -47.31 87.05 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.209 0.913 . . . . 10.0 110.465 178.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.431 HG23 ' HB1' ' A' ' 74' ' ' ALA . 47.7 mt -62.79 -49.39 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-N 118.314 0.506 . . . . 10.0 110.465 176.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.2 t -59.05 -47.1 86.45 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.211 0.604 . . . . 10.0 112.186 -177.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -65.32 -38.48 90.3 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.736 -0.602 . . . . 10.0 111.943 176.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -66.85 -37.69 84.93 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.313 -0.867 . . . . 10.0 111.989 175.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.6 mt -62.2 -52.98 53.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 CA-C-O 118.267 -0.873 . . . . 10.0 109.071 171.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.1 mp -59.02 -30.44 68.01 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 113.602 0.964 . . . . 10.0 113.602 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.12 -17.62 52.05 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.763 1.023 . . . . 10.0 113.763 173.245 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -100.32 -31.21 11.45 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 114.344 1.238 . . . . 10.0 114.344 177.283 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 38.6 t -145.52 139.34 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 126.552 1.941 . . . . 10.0 108.972 -175.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.4 t -76.48 136.39 39.38 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 113.822 1.045 . . . . 10.0 113.822 -176.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.91 -24.62 3.74 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 123.908 0.883 . . . . 10.0 112.404 165.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -70.57 -22.63 62.56 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 114.71 1.374 . . . . 10.0 114.71 173.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -113.03 -11.47 13.36 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 119.701 1.137 . . . . 10.0 112.745 -177.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.1 mt -85.76 128.03 39.6 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 126.545 1.938 . . . . 10.0 108.301 168.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.6 t -73.49 -49.17 38.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 123.851 0.86 . . . . 10.0 109.568 168.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -161.84 174.89 12.53 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 121.706 0.765 . . . . 10.0 112.747 172.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 pp -130.56 143.24 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 C-N-CA 125.21 1.404 . . . . 10.0 110.559 169.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -119.16 127.97 53.82 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 106.318 -1.734 . . . . 10.0 106.318 168.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 62.3 mt -131.31 126.52 58.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 N-CA-C 107.317 -1.364 . . . . 10.0 107.317 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 94.7 m -118.95 117.58 29.21 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 107.744 -1.206 . . . . 10.0 107.744 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.6 t -115.69 123.05 70.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 N-CA-C 107.394 -1.335 . . . . 10.0 107.394 169.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.8 mt -117.77 138.25 52.18 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 124.072 0.949 . . . . 10.0 108.542 171.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.6 p -139.57 131.08 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 C-N-CA 124.114 0.966 . . . . 10.0 108.673 -179.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -147.28 159.77 43.28 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.961 0.905 . . . . 10.0 110.348 -169.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -135.82 113.34 10.81 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.422 0.689 . . . . 10.0 109.746 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 98.6 m -131.86 86.46 2.34 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 120.966 -1.084 . . . . 10.0 109.946 171.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.3 t70 64.6 -36.26 0.19 Allowed 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 127.289 2.235 . . . . 10.0 113.728 -168.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -119.8 156.15 31.18 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 128.099 2.56 . . . . 10.0 110.347 169.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 53.7 tp -85.35 129.3 34.84 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 126.351 1.861 . . . . 10.0 110.503 177.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -126.65 147.3 49.93 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.769 0.795 . . . . 10.0 111.213 168.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 8.9 p -136.11 141.8 40.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 C-N-CA 125.415 1.486 . . . . 10.0 107.975 172.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -141.35 125.81 17.7 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.479 1.512 . . . . 10.0 108.8 -166.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.8 mt -132.19 132.53 60.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 123.474 0.71 . . . . 10.0 111.577 -169.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.4 t -130.37 139.91 50.63 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.351 1.461 . . . . 10.0 108.944 167.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.43 143.36 50.39 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.284 0.633 . . . . 10.0 110.496 169.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -131.49 136.61 48.04 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.845 1.658 . . . . 10.0 109.503 -173.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -115.02 122.39 46.06 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 125.492 1.517 . . . . 10.0 108.731 -177.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -114.09 102.78 10.49 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 107.851 -1.166 . . . . 10.0 107.851 172.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -82.4 152.09 26.33 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 126.243 1.817 . . . . 10.0 111.615 177.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.415 ' C ' ' H ' ' A' ' 63' ' ' LEU . 32.5 t0 -58.46 147.29 32.19 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 112.176 0.436 . . . . 10.0 112.176 168.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.48 25.2 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 128.545 2.738 . . . . 10.0 113.671 -178.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.415 ' H ' ' C ' ' A' ' 61' ' ' ASP . 28.4 tp -145.01 1.59 0.99 Allowed 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 129.033 2.933 . . . . 10.0 111.259 -173.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.7 m -129.1 155.91 44.71 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.089 1.356 . . . . 10.0 111.775 -169.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -151.56 94.84 2.05 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.542 1.137 . . . . 10.0 109.507 -171.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.66 -173.24 3.7 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.764 1.626 . . . . 10.0 113.038 178.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -85.46 141.58 36.81 Favored Pre-proline 0 CA--C 1.546 0.825 0 O-C-N 120.771 -1.205 . . . . 10.0 110.275 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -73.89 50.54 2.15 Favored 'Trans proline' 0 CA--C 1.548 1.191 1 C-N-CA 125.879 4.386 . . . . 10.0 113.053 -177.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 177.74 4.62 0.02 OUTLIER Glycine 0 CA--C 1.542 1.779 0 C-N-CA 127.771 2.605 . . . . 10.0 114.705 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.2 tt -62.82 -25.31 38.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 CA-C-N 119.472 1.636 . . . . 10.0 114.354 -169.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.4 p -86.14 -37.13 11.38 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.209 0 C-N-CA 124.338 1.055 . . . . 10.0 112.613 176.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.65 -36.18 61.8 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.878 1.271 . . . . 10.0 110.723 173.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -63.65 -40.93 98.1 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.746 0.819 . . . . 10.0 111.478 172.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.431 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -68.13 -42.39 80.24 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.942 0.792 . . . . 10.0 111.943 177.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.458 HG12 ' CE2' ' A' ' 79' ' ' TYR . 1.8 t -69.71 -45.25 78.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 CA-C-N 118.279 0.491 . . . . 10.0 110.952 -179.208 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -58.67 -40.12 82.61 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.622 1.169 . . . . 10.0 111.002 172.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.51 94.77 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 120.916 -1.115 . . . . 10.0 112.822 172.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.07 -42.72 96.88 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.434 1.016 . . . . 10.0 112.318 172.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.458 ' CE2' HG12 ' A' ' 75' ' ' VAL . 49.2 m-85 -62.78 -43.21 99.4 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.791 -0.568 . . . . 10.0 112.011 174.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -72.29 -38.9 68.64 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 118.364 -0.827 . . . . 10.0 112.824 178.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.6 p -63.2 -40.62 98.03 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 119.266 0.939 . . . . 10.0 110.909 174.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 29.9 tp -64.03 -47.05 81.74 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 118.837 -0.601 . . . . 10.0 112.089 174.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -64.66 -41.29 96.19 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 118.881 0.764 . . . . 10.0 111.5 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.6 t -72.12 -19.26 61.82 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.472 0.916 . . . . 10.0 113.472 176.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -81.12 -42.39 21.02 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.38 1.072 . . . . 10.0 111.097 169.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -60.02 -29.7 68.67 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.457 1.103 . . . . 10.0 113.515 175.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -55.86 -10.88 0.84 Allowed 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 126.048 1.739 . . . . 10.0 113.804 167.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -126.65 11.6 7.05 Favored Glycine 0 CA--C 1.54 1.639 0 C-N-CA 124.905 1.24 . . . . 10.0 114.329 169.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -128.26 -9.11 5.28 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.904 1.282 . . . . 10.0 113.844 -173.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.4 mtp85 -146.06 -52.16 0.24 Allowed 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.708 1.373 . . . . 10.0 114.708 169.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 . . . . . 0 C--O 1.252 1.2 0 CA-C-O 116.254 -1.832 . . . . 10.0 114.521 -166.672 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.6 mtt . . . . . 0 N--CA 1.481 1.082 0 CA-C-O 118.045 -0.979 . . . . 10.0 109.285 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 m -127.14 0.77 6.47 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 113.612 0.967 . . . . 10.0 113.612 176.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 97.8 mt -69.12 179.31 1.95 Allowed 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.091 1.757 . . . . 10.0 111.968 174.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -135.97 178.14 7.28 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.641 1.976 . . . . 10.0 108.383 -178.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.61 107.0 0.11 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.449 1.1 . . . . 10.0 110.946 171.284 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.3 mt -77.82 106.24 9.53 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 121.758 -0.589 . . . . 10.0 110.258 -174.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.2 t -148.74 -166.98 2.7 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.781 0.832 . . . . 10.0 110.79 -178.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -59.11 23.61 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 130.851 3.66 . . . . 10.0 115.818 -176.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.46 -49.04 0.04 OUTLIER Glycine 0 CA--C 1.526 0.779 0 C-N-CA 125.736 1.636 . . . . 10.0 111.145 171.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.14 -42.54 75.84 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.409 1.484 . . . . 10.0 111.328 179.133 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.9 mt -69.91 -31.99 70.06 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.068 0.947 . . . . 10.0 112.151 170.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -67.82 -41.09 83.6 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 122.995 0.518 . . . . 10.0 111.635 174.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -61.93 -39.2 91.23 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.146 -0.971 . . . . 10.0 112.423 172.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 78.8 mt -64.93 -43.78 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 O-C-N 121.402 -0.811 . . . . 10.0 110.444 172.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.9 m -61.07 -40.97 95.71 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.715 0.806 . . . . 10.0 111.572 176.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.3 t -63.31 -43.88 96.58 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 125.734 1.614 . . . . 10.0 111.593 172.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -58.38 -42.49 87.18 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.776 0.716 . . . . 10.0 111.933 173.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.95 -51.14 68.06 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.514 0.597 . . . . 10.0 111.835 174.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -59.35 -44.03 92.72 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.37 0.668 . . . . 10.0 112.177 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -64.46 -40.1 95.07 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 118.685 -0.674 . . . . 10.0 111.479 173.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.3 m -61.16 -47.22 87.19 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.423 1.01 . . . . 10.0 111.83 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.479 HG23 ' HB1' ' A' ' 74' ' ' ALA . 39.3 mt -61.16 -44.75 98.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 CA-C-N 118.554 0.615 . . . . 10.0 110.209 174.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.8 m -60.44 -50.99 71.38 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.631 0.773 . . . . 10.0 111.729 -178.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -58.76 -38.57 78.78 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 115.686 1.736 . . . . 10.0 115.686 169.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -64.46 -45.89 85.47 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.283 0.947 . . . . 10.0 110.286 177.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.5 mt -61.6 -49.43 84.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 124.559 1.143 . . . . 10.0 110.38 176.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.9 -10.67 14.28 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 114.309 1.226 . . . . 10.0 114.309 176.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.2 mtmm -118.24 14.77 13.95 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.118 1.367 . . . . 10.0 112.413 172.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.67 -38.67 3.43 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 126.994 2.118 . . . . 10.0 113.226 169.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.0 p -146.43 151.64 14.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.798 1.239 . . . . 10.0 110.879 -175.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.3 t -80.51 124.13 28.68 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 121.563 -0.711 . . . . 10.0 111.774 -174.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.84 -24.84 3.83 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.28 1.432 . . . . 10.0 113.705 169.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -58.15 -19.79 35.68 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 113.992 1.108 . . . . 10.0 113.992 170.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -102.98 -8.65 20.47 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.894 1.677 . . . . 10.0 112.197 178.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.6 mm -97.39 119.82 45.93 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 C-N-CA 124.723 1.209 . . . . 10.0 108.771 -172.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.5 t -68.91 -50.12 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 C-N-CA 124.352 1.061 . . . . 10.0 109.271 170.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -164.03 177.05 8.77 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.389 0.885 . . . . 10.0 113.389 171.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.1 pt -131.2 142.53 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 125.55 1.54 . . . . 10.0 110.364 169.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -129.1 117.76 21.37 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 124.321 1.049 . . . . 10.0 109.095 173.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.3 mt -128.58 126.36 65.21 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 N-CA-C 107.828 -1.175 . . . . 10.0 107.828 -174.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 53.6 m -119.6 117.6 28.76 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 125.171 1.388 . . . . 10.0 107.682 178.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 m -115.77 120.21 64.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 126.475 1.91 . . . . 10.0 108.161 177.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.0 mp -117.64 138.84 51.69 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 124.533 1.133 . . . . 10.0 108.592 176.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.8 p -139.77 134.68 38.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 123.725 0.81 . . . . 10.0 108.948 172.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -145.98 156.37 43.45 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.718 1.207 . . . . 10.0 109.538 -174.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -130.42 108.36 9.91 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 109.453 -0.573 . . . . 10.0 109.453 174.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.8 t -131.26 80.69 1.95 Allowed 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.615 1.166 . . . . 10.0 108.525 -179.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.6 t70 62.65 -37.26 0.14 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 128.128 2.571 . . . . 10.0 113.785 -167.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -120.23 159.88 24.07 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 128.802 2.841 . . . . 10.0 109.841 171.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 63.0 tp -85.05 129.3 34.82 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.535 1.534 . . . . 10.0 110.096 -177.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -116.63 130.73 56.91 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.444 1.098 . . . . 10.0 109.104 172.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.9 p -136.25 124.65 36.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 C-N-CA 124.575 1.15 . . . . 10.0 108.692 171.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -135.02 133.53 39.51 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 124.46 1.104 . . . . 10.0 109.634 -167.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 38.2 mt -132.04 127.17 57.66 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.116 0 C-N-CA 123.981 0.912 . . . . 10.0 108.831 -169.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.8 m -131.87 133.03 44.17 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 123.705 0.802 . . . . 10.0 109.832 168.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.21 142.08 50.13 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.654 0.781 . . . . 10.0 110.512 176.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -131.4 139.67 49.49 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.787 1.635 . . . . 10.0 109.396 172.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.7 tp -128.06 115.2 18.09 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 126.33 1.852 . . . . 10.0 108.007 -170.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -107.37 110.08 21.97 Favored 'General case' 0 CA--C 1.528 0.105 0 N-CA-C 109.643 -0.503 . . . . 10.0 109.643 -172.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -82.22 151.95 26.63 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 126.596 1.959 . . . . 10.0 110.941 176.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.431 ' C ' ' H ' ' A' ' 63' ' ' LEU . 34.2 t0 -61.38 147.53 44.58 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.245 167.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -64.9 29.29 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 127.439 2.296 . . . . 10.0 113.139 177.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.431 ' H ' ' C ' ' A' ' 61' ' ' ASP . 8.0 tp -150.74 2.78 0.46 Allowed 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 128.618 2.767 . . . . 10.0 112.602 -172.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.8 t -141.59 164.39 30.33 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 119.707 1.14 . . . . 10.0 112.142 171.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -145.48 94.72 2.55 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 127.036 2.134 . . . . 10.0 109.005 -169.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.89 174.81 2.77 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.482 0.713 . . . . 10.0 112.262 169.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -85.29 142.67 38.23 Favored Pre-proline 0 CA--C 1.546 0.79 0 O-C-N 120.912 -1.118 . . . . 10.0 112.026 -168.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -73.99 58.88 4.27 Favored 'Trans proline' 0 CA--C 1.544 1.021 1 C-N-CA 125.842 4.361 . . . . 10.0 113.258 -170.248 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 172.27 -11.66 0.04 OUTLIER Glycine 0 CA--C 1.536 1.384 0 C-N-CA 126.593 2.044 . . . . 10.0 114.132 -178.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.5 tt -55.28 -28.61 21.99 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 C-N-CA 125.721 1.608 . . . . 10.0 114.745 -173.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 79.5 t -80.1 -49.34 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 126.116 1.766 . . . . 10.0 111.292 176.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -57.13 -38.0 72.83 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.536 1.135 . . . . 10.0 111.262 174.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -63.84 -39.72 94.88 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 118.808 -0.615 . . . . 10.0 111.523 170.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.479 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -66.93 -41.17 87.47 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 119.62 1.1 . . . . 10.0 111.674 179.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 45.9 t -65.51 -50.76 70.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 125.23 1.412 . . . . 10.0 110.659 177.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -58.68 -39.08 79.66 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 119.202 0.91 . . . . 10.0 112.018 171.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.27 -38.13 89.97 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 119.49 1.041 . . . . 10.0 111.397 176.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.08 -43.56 91.78 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 118.641 0.655 . . . . 10.0 112.134 169.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -62.72 -43.4 98.91 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 119.213 0.915 . . . . 10.0 113.195 176.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.411 HH21 ' CD ' ' A' ' 83' ' ' GLU . 2.8 mtp180 -71.88 -34.69 69.38 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.653 0.781 . . . . 10.0 110.854 177.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.9 m -63.49 -39.19 93.79 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.772 -0.58 . . . . 10.0 111.552 170.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.0 tp -66.02 -42.5 89.55 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 123.522 0.729 . . . . 10.0 112.096 173.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.411 ' CD ' HH21 ' A' ' 80' ' ' ARG . 80.6 tt0 -59.5 -41.29 89.55 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.352 0.661 . . . . 10.0 111.195 175.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.8 m -71.75 -29.3 64.36 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.49 0.922 . . . . 10.0 113.49 170.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -67.18 -42.45 84.21 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.224 -0.923 . . . . 10.0 110.762 176.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -70.22 -32.51 70.44 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.763 1.165 . . . . 10.0 112.303 174.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -59.9 -10.29 3.87 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.696 1.198 . . . . 10.0 113.088 169.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -119.01 17.33 10.72 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 125.052 1.31 . . . . 10.0 113.939 171.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -141.84 -35.34 0.45 Allowed 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 115.557 1.688 . . . . 10.0 115.557 -175.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 73.9 mtp85 -88.47 -31.91 18.52 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-O 118.294 -0.86 . . . . 10.0 111.608 175.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 . . . . . 0 C--O 1.252 1.231 0 C-N-CA 125.018 1.327 . . . . 10.0 107.839 165.618 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.5 ttt . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 118.061 -0.971 . . . . 10.0 108.919 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.1 m 61.76 87.24 0.1 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.925 1.29 . . . . 10.0 114.152 172.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.429 ' H ' HD23 ' A' ' 3' ' ' LEU . 1.4 pt? -58.3 168.91 0.95 Allowed 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.409 1.084 . . . . 10.0 112.274 169.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.38 -158.64 0.66 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.345 1.458 . . . . 10.0 108.143 171.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -62.61 131.89 50.55 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 120.92 -1.113 . . . . 10.0 108.407 169.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.2 mp -74.54 113.2 11.51 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 108.68 -0.859 . . . . 10.0 108.68 -173.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.3 t -149.32 175.16 11.67 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 125.77 1.628 . . . . 10.0 109.588 -169.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -61.9 41.22 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 129.973 3.309 . . . . 10.0 114.044 173.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.62 -58.68 0.01 OUTLIER Glycine 0 CA--C 1.528 0.905 0 C-N-CA 128.282 2.848 . . . . 10.0 109.214 176.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.01 -44.47 96.64 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 117.83 0.815 . . . . 10.0 111.782 173.013 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.4 mt -67.1 -41.23 86.6 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.025 0.53 . . . . 10.0 111.433 179.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -70.21 -35.87 74.19 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 114.394 1.257 . . . . 10.0 114.394 174.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -54.83 -43.33 72.9 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.677 1.126 . . . . 10.0 110.503 169.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 92.2 mt -65.18 -42.61 94.62 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 C-N-CA 123.342 0.657 . . . . 10.0 111.689 172.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.72 -43.28 90.09 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 119.565 1.075 . . . . 10.0 111.18 176.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.9 t -67.56 -43.87 79.62 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 125.192 1.397 . . . . 10.0 111.553 177.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -59.72 -42.62 93.48 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 118.601 0.637 . . . . 10.0 111.841 175.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.6 mt -68.54 -44.8 73.79 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.266 0.626 . . . . 10.0 111.898 176.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -58.62 -49.18 78.43 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.374 0.534 . . . . 10.0 111.29 175.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -60.7 -39.4 88.4 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-O 118.588 -0.72 . . . . 10.0 112.029 173.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.8 m -61.02 -42.8 99.15 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.715 1.143 . . . . 10.0 111.264 -178.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.473 HG23 ' HB1' ' A' ' 74' ' ' ALA . 45.5 mt -70.44 -47.31 66.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 CA-C-N 118.294 0.497 . . . . 10.0 110.971 172.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.1 t -60.78 -48.17 83.01 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.205 0.602 . . . . 10.0 112.073 -175.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -66.63 -33.68 76.19 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.459 1.104 . . . . 10.0 112.457 175.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -62.64 -45.92 90.6 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 119.683 1.129 . . . . 10.0 110.427 171.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.0 mt -63.63 -50.03 79.84 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 123.987 0.915 . . . . 10.0 110.271 178.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -59.01 -18.97 39.34 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.031 1.332 . . . . 10.0 113.743 178.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -112.66 9.67 19.31 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.55 1.14 . . . . 10.0 112.462 176.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.69 -38.78 4.19 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.553 1.941 . . . . 10.0 112.461 169.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.411 HG11 HD21 ' A' ' 60' ' ' LEU . 10.7 t -142.06 146.68 22.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 125.63 1.572 . . . . 10.0 109.639 -177.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.1 t -79.84 136.31 36.67 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 114.934 1.457 . . . . 10.0 114.934 -168.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.69 -24.82 9.32 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 120.975 -1.078 . . . . 10.0 113.232 167.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -71.21 -22.7 61.98 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.918 1.081 . . . . 10.0 113.918 173.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -113.97 2.82 15.14 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.063 0.945 . . . . 10.0 112.466 -177.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 73.5 mt -99.14 125.82 52.56 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 126.434 1.894 . . . . 10.0 107.728 172.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.5 t -71.32 -53.32 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 C-N-CA 124.289 1.036 . . . . 10.0 109.069 169.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -164.44 177.06 8.47 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.667 0.787 . . . . 10.0 112.162 172.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.9 pt -134.0 129.62 54.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 125.484 1.514 . . . . 10.0 111.048 174.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -97.27 119.76 36.39 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 107.842 -1.17 . . . . 10.0 107.842 168.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 87.2 mt -131.18 121.08 48.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 N-CA-C 108.683 -0.858 . . . . 10.0 108.683 172.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 71.5 m -119.74 117.89 29.42 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 125.112 1.365 . . . . 10.0 108.383 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.4 t -115.7 120.15 63.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 124.475 1.11 . . . . 10.0 108.838 172.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.4 mp -117.71 139.32 51.19 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.819 1.647 . . . . 10.0 109.089 175.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.9 p -136.78 137.25 47.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 O-C-N 121.559 -0.713 . . . . 10.0 109.194 176.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -149.9 152.08 34.48 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.492 1.117 . . . . 10.0 109.793 -168.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -139.0 101.74 4.36 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 106.83 -1.545 . . . . 10.0 106.83 178.292 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -130.82 81.53 2.0 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 126.264 1.825 . . . . 10.0 107.565 -169.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.5 t70 68.92 -34.82 0.28 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 127.655 2.382 . . . . 10.0 112.503 -167.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -133.94 159.81 39.61 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.257 1.823 . . . . 10.0 110.234 169.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 40.4 tp -85.03 128.91 34.83 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.423 1.489 . . . . 10.0 109.381 -177.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -135.88 147.44 48.19 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 122.231 1.015 . . . . 10.0 111.428 174.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.0 p -136.16 133.12 50.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 125.199 1.399 . . . . 10.0 108.345 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -117.94 129.18 55.46 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 126.078 1.751 . . . . 10.0 107.449 -174.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 31.7 mt -130.15 127.34 63.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 N-CA-C 108.177 -1.046 . . . . 10.0 108.177 178.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.0 m -131.87 133.98 45.22 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 123.718 0.807 . . . . 10.0 109.997 168.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.26 145.92 52.1 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.034 0.934 . . . . 10.0 110.829 174.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.76 147.37 39.01 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.489 1.515 . . . . 10.0 110.202 174.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 68.0 tp -127.97 104.22 7.68 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 125.485 1.514 . . . . 10.0 110.393 -169.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -94.02 102.96 15.05 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 108.785 -0.82 . . . . 10.0 108.785 -178.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.411 HD21 HG11 ' A' ' 30' ' ' VAL . 77.1 mt -87.45 152.07 22.53 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 125.318 1.447 . . . . 10.0 112.356 179.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -59.63 147.11 38.55 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.502 -0.772 . . . . 10.0 110.742 169.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -72.58 36.41 0.07 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.296 1.839 . . . . 10.0 113.715 -175.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.0 tt -146.97 -37.94 0.21 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 127.098 2.159 . . . . 10.0 111.182 -169.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.9 m -86.99 159.24 19.06 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.555 0.742 . . . . 10.0 112.465 175.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -150.07 94.76 2.19 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.168 1.387 . . . . 10.0 108.493 -174.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.7 -178.03 6.89 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.048 1.339 . . . . 10.0 112.579 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -85.36 143.2 38.69 Favored Pre-proline 0 CA--C 1.548 0.877 0 O-C-N 120.822 -1.173 . . . . 10.0 112.169 -168.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -74.23 58.35 4.3 Favored 'Trans proline' 0 CA--C 1.544 1.014 1 C-N-CA 125.886 4.391 . . . . 10.0 113.726 -169.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 177.75 -19.78 0.04 OUTLIER Glycine 0 CA--C 1.534 1.251 0 C-N-CA 126.356 1.932 . . . . 10.0 113.711 -178.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.2 tt -53.33 -24.5 8.61 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 N-CA-C 116.213 1.931 . . . . 10.0 116.213 -169.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 92.1 t -79.31 -56.98 5.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 125.005 1.322 . . . . 10.0 110.765 173.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -55.79 -36.21 67.15 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.708 1.203 . . . . 10.0 111.502 176.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -63.82 -32.01 73.37 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.793 0.837 . . . . 10.0 112.138 172.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.473 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -68.94 -40.73 78.82 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 119.333 0.97 . . . . 10.0 111.137 174.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.459 HG12 ' CE2' ' A' ' 79' ' ' TYR . 1.6 t -69.86 -43.05 79.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 122.647 0.379 . . . . 10.0 110.641 178.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -58.69 -41.26 85.82 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.601 1.56 . . . . 10.0 111.541 172.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.97 -42.07 99.72 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-O 118.962 -0.542 . . . . 10.0 111.832 172.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.06 -43.57 98.55 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.106 0.866 . . . . 10.0 112.63 172.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.459 ' CE2' HG12 ' A' ' 75' ' ' VAL . 46.5 m-85 -63.83 -43.22 96.84 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.852 0.751 . . . . 10.0 112.017 177.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 58.8 mtt-85 -72.55 -33.92 67.15 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 118.96 0.8 . . . . 10.0 112.592 178.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.9 t -63.05 -43.7 97.88 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-O 118.533 -0.746 . . . . 10.0 110.109 170.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 23.8 tp -62.65 -44.25 96.75 Favored 'General case' 0 C--N 1.343 0.296 0 CA-C-O 118.282 -0.866 . . . . 10.0 112.739 174.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -58.74 -41.5 86.6 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 118.98 0.809 . . . . 10.0 111.579 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . 0.332 38.6 m -90.07 -17.65 27.36 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 114.696 1.369 . . . . 10.0 114.696 178.513 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -64.46 -42.31 96.01 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 107.286 -1.376 . . . . 10.0 107.286 164.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -67.06 -32.83 74.28 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.992 1.317 . . . . 10.0 113.788 173.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -55.49 -19.97 11.32 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 119.651 1.114 . . . . 10.0 111.786 167.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -117.47 16.74 12.58 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 125.466 1.507 . . . . 10.0 113.858 175.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -136.43 -27.49 1.06 Allowed 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 118.781 1.291 . . . . 10.0 113.945 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -145.51 -28.47 0.44 Allowed 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 115.74 1.756 . . . . 10.0 115.74 176.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . 0.283 13.7 pt-20 . . . . . 0 C--O 1.256 1.426 0 CA-C-O 116.72 -1.609 . . . . 10.0 113.267 -166.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 109.628 -0.508 . . . . 10.0 109.628 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.6 p -74.33 51.98 0.46 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.484 1.514 . . . . 10.0 112.93 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.26 167.3 4.2 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.692 1.597 . . . . 10.0 113.012 -174.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.47 170.17 16.92 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.133 1.373 . . . . 10.0 111.725 -168.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.4 mmtt -62.17 121.76 13.9 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 107.899 -1.149 . . . . 10.0 107.899 167.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.408 ' H ' HD12 ' A' ' 6' ' ' LEU . 4.9 mp -74.7 112.17 10.63 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 109.676 -0.491 . . . . 10.0 109.676 -172.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.3 t -132.59 -176.07 3.97 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.8 0.84 . . . . 10.0 109.674 170.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -46.68 -39.77 12.0 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.224 1.409 . . . . 10.0 113.218 -172.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.45 -56.41 19.93 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 123.815 0.721 . . . . 10.0 113.386 175.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.82 -37.32 86.95 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.084 0.954 . . . . 10.0 111.675 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.9 mt -69.7 -37.42 76.58 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.204 1.002 . . . . 10.0 112.034 177.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -67.2 -42.68 83.76 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.899 0.772 . . . . 10.0 111.408 169.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -63.44 -38.64 91.92 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.382 0.992 . . . . 10.0 112.938 174.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 52.1 mt -64.94 -43.61 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 O-C-N 121.129 -0.982 . . . . 10.0 110.392 171.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.4 m -61.16 -41.19 96.32 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.404 0.682 . . . . 10.0 111.398 175.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.9 t -63.27 -43.91 96.6 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.211 1.404 . . . . 10.0 111.915 172.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -61.21 -41.02 96.12 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.099 0.96 . . . . 10.0 112.066 174.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.2 mt -62.37 -51.38 67.81 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.569 0.748 . . . . 10.0 111.683 172.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.9 t-160 -58.94 -47.72 84.07 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 118.325 0.511 . . . . 10.0 111.673 179.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -62.71 -37.15 85.36 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 118.684 -0.674 . . . . 10.0 111.932 175.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.9 m -61.14 -46.2 91.54 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.526 1.057 . . . . 10.0 111.232 176.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.436 HG23 ' HB1' ' A' ' 74' ' ' ALA . 52.4 mt -65.97 -45.73 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 CA-C-N 118.516 0.598 . . . . 10.0 110.591 175.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.8 t -56.47 -51.14 69.57 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.33 0.652 . . . . 10.0 112.077 177.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.93 -39.0 87.79 Favored 'General case' 0 C--N 1.342 0.25 0 N-CA-C 113.871 1.063 . . . . 10.0 113.871 172.11 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -65.47 -45.57 83.19 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.997 1.271 . . . . 10.0 110.704 179.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.8 mt -59.82 -53.12 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-O 117.879 -1.058 . . . . 10.0 109.354 174.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.02 -24.46 67.93 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.795 1.179 . . . . 10.0 114.068 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -91.83 1.98 56.81 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.737 1.215 . . . . 10.0 112.696 174.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -119.32 -30.9 4.8 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.248 1.419 . . . . 10.0 114.321 173.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.5 p -151.44 154.09 8.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 127.673 2.389 . . . . 10.0 109.34 177.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.5 t -108.18 136.72 47.38 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 120.264 -1.523 . . . . 10.0 112.7 -169.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.67 -24.78 3.58 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.035 1.334 . . . . 10.0 113.862 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 pptp? -53.53 -17.94 2.44 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 116.043 1.868 . . . . 10.0 116.043 169.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -122.48 6.82 9.53 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.12 1.368 . . . . 10.0 114.493 177.329 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 73.0 mt -106.8 128.3 61.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 127.332 2.253 . . . . 10.0 109.318 178.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.9 t -69.44 -54.01 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 123.515 0.726 . . . . 10.0 110.523 170.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -164.06 177.04 8.76 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.868 0.867 . . . . 10.0 112.157 174.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.8 pp -131.22 143.22 41.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 125.263 1.425 . . . . 10.0 111.254 171.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -109.95 119.67 40.07 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 107.643 -1.243 . . . . 10.0 107.643 167.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 80.7 mt -131.09 113.64 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 N-CA-C 108.214 -1.032 . . . . 10.0 108.214 173.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 48.9 m -119.79 120.52 36.77 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 125.047 1.339 . . . . 10.0 109.067 177.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.5 m -115.51 124.19 71.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 126.051 1.74 . . . . 10.0 108.445 -178.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 mp -117.83 133.03 56.34 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 124.768 1.227 . . . . 10.0 108.564 -177.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.6 p -139.6 134.66 39.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 123.244 0.618 . . . . 10.0 110.046 177.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -147.43 159.87 43.21 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.471 1.109 . . . . 10.0 110.658 -170.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -129.99 109.04 10.56 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 108.829 -0.804 . . . . 10.0 108.829 172.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.2 80.67 1.95 Allowed 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.517 1.527 . . . . 10.0 108.008 -176.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.1 t70 63.85 -29.61 0.1 Allowed 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 127.06 2.144 . . . . 10.0 113.684 -167.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -132.44 159.84 38.15 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.951 2.501 . . . . 10.0 109.629 169.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -85.06 128.47 34.65 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 124.905 1.282 . . . . 10.0 108.43 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -129.95 150.32 51.29 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.945 0.898 . . . . 10.0 111.168 176.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.7 p -136.0 147.97 27.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 125.46 1.504 . . . . 10.0 108.511 174.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -141.29 146.35 36.66 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 123.849 0.86 . . . . 10.0 111.308 170.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.417 HG21 HD11 ' A' ' 22' ' ' ILE . 21.9 mt -132.25 109.01 14.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 C-N-CA 125.023 1.329 . . . . 10.0 109.84 -169.106 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.1 m -103.86 122.17 44.59 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 108.699 -0.852 . . . . 10.0 108.699 171.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.17 141.2 50.05 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.481 0.712 . . . . 10.0 110.942 172.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.74 147.11 38.64 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.701 1.6 . . . . 10.0 110.348 178.289 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 66.2 tp -128.02 104.33 7.73 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 125.839 1.656 . . . . 10.0 110.59 -170.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -93.17 102.72 15.02 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 108.767 -0.827 . . . . 10.0 108.767 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.4 mt -82.31 151.91 26.53 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.618 1.167 . . . . 10.0 111.674 176.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.435 ' C ' ' H ' ' A' ' 63' ' ' LEU . 32.3 t0 -62.77 147.71 49.03 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.236 0.458 . . . . 10.0 112.236 168.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -64.84 18.5 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 127.642 2.377 . . . . 10.0 113.812 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.435 ' H ' ' C ' ' A' ' 61' ' ' ASP . 94.1 mt -137.52 7.37 2.8 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 128.946 2.898 . . . . 10.0 111.592 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.2 m -115.8 143.31 45.58 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 125.148 1.379 . . . . 10.0 111.697 -172.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -139.7 94.68 2.8 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.308 1.443 . . . . 10.0 108.469 178.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.74 -170.65 3.21 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.879 1.272 . . . . 10.0 111.995 170.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -85.6 143.29 38.23 Favored Pre-proline 0 CA--C 1.546 0.819 0 O-C-N 121.182 -0.949 . . . . 10.0 111.28 -175.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -73.58 58.5 3.86 Favored 'Trans proline' 0 CA--C 1.545 1.056 1 C-N-CA 125.666 4.244 . . . . 10.0 112.647 -177.253 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 169.07 -1.82 0.04 OUTLIER Glycine 0 CA--C 1.538 1.478 0 C-N-CA 126.656 2.074 . . . . 10.0 114.739 -178.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.3 tt -59.47 -26.37 34.1 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 119.171 1.486 . . . . 10.0 114.676 -170.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.4 t -80.7 -50.33 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 124.509 1.124 . . . . 10.0 109.536 174.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.85 -39.56 65.74 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.752 2.021 . . . . 10.0 111.6 178.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -63.68 -38.17 90.09 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.948 0.899 . . . . 10.0 111.162 173.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.436 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -69.64 -41.58 75.42 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.753 0.706 . . . . 10.0 111.4 178.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.501 HG12 ' CE2' ' A' ' 79' ' ' TYR . 2.0 t -67.77 -44.98 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-O 119.179 -0.439 . . . . 10.0 110.528 178.048 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -58.62 -42.93 89.38 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.574 1.15 . . . . 10.0 111.612 172.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.97 -40.48 97.85 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 118.672 -0.68 . . . . 10.0 111.584 174.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.72 -45.14 87.82 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.371 0.987 . . . . 10.0 112.59 173.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.501 ' CE2' HG12 ' A' ' 75' ' ' VAL . 50.4 m-85 -61.24 -43.22 99.23 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.015 0.825 . . . . 10.0 111.869 175.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -72.44 -38.57 68.28 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.838 0.855 . . . . 10.0 112.399 179.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 45.5 t -63.0 -41.96 99.72 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.966 0.906 . . . . 10.0 110.343 174.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 24.1 tp -61.36 -46.96 88.04 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 118.178 -0.915 . . . . 10.0 111.925 172.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -64.21 -41.13 97.17 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 120.168 1.349 . . . . 10.0 112.077 178.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 71.7 m -65.23 -23.03 66.95 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 113.8 1.037 . . . . 10.0 113.8 173.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -81.08 -42.07 21.59 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.474 1.109 . . . . 10.0 112.79 169.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.17 -12.89 22.33 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.835 1.654 . . . . 10.0 112.881 174.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -44.22 -45.1 8.29 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.685 1.194 . . . . 10.0 110.039 165.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -72.77 -4.64 62.37 Favored Glycine 0 CA--C 1.539 1.541 0 N-CA-C 115.309 0.883 . . . . 10.0 115.309 179.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -116.05 -26.36 7.31 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.793 1.637 . . . . 10.0 113.076 178.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 49.5 mtm180 -132.49 -18.38 2.5 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 115.235 1.569 . . . . 10.0 115.235 -169.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 . . . . . 0 C--O 1.252 1.212 0 C-N-CA 125.512 1.525 . . . . 10.0 112.971 -173.776 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.6 mtt . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 118.448 -0.787 . . . . 10.0 109.291 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.2 t -148.51 14.31 0.97 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.079 0.952 . . . . 10.0 113.262 170.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 57.5 mt -73.2 -176.31 2.13 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-O 122.036 0.922 . . . . 10.0 111.335 168.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -132.02 168.26 18.24 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 126.565 1.946 . . . . 10.0 111.024 -173.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.6 mmtt -65.02 106.91 1.36 Allowed 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 104.715 -2.328 . . . . 10.0 104.715 164.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 80.6 mt -74.84 105.87 6.1 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 121.054 0.454 . . . . 10.0 110.384 -168.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.5 p -103.57 177.04 4.95 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.647 1.579 . . . . 10.0 110.71 176.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -49.06 -37.71 21.91 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.855 0.862 . . . . 10.0 111.597 169.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.49 -46.44 85.29 Favored Glycine 0 CA--C 1.531 1.047 0 CA-C-N 118.491 0.587 . . . . 10.0 113.424 176.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.98 -38.78 86.66 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 117.725 0.762 . . . . 10.0 110.864 178.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.7 mp -64.49 -38.96 92.85 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 114.244 1.201 . . . . 10.0 114.244 169.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -67.13 -40.53 86.8 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 119.326 0.966 . . . . 10.0 111.697 172.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -63.5 -44.17 95.1 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 118.907 0.776 . . . . 10.0 111.654 174.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.2 mt -64.99 -45.41 94.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 O-C-N 121.64 -0.662 . . . . 10.0 110.727 175.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.6 m -63.2 -38.11 89.9 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.886 -0.509 . . . . 10.0 111.443 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.9 m -66.9 -43.91 82.19 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.545 1.138 . . . . 10.0 111.565 173.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -60.11 -41.82 93.41 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.371 0.668 . . . . 10.0 111.74 175.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 81.9 mt -63.96 -49.87 70.85 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 118.135 -0.936 . . . . 10.0 111.779 174.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -55.39 -49.97 70.94 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 119.618 1.099 . . . . 10.0 112.24 173.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -62.99 -38.39 90.99 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 109.806 -0.442 . . . . 10.0 109.806 -176.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.5 m -61.05 -47.27 87.16 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.321 0.648 . . . . 10.0 111.554 176.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.564 HG23 ' HB1' ' A' ' 74' ' ' ALA . 56.7 mt -65.68 -48.29 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 CA-C-N 119.029 0.831 . . . . 10.0 110.553 176.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.8 m -61.26 -44.48 97.17 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.207 0.603 . . . . 10.0 111.961 -177.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -68.41 -38.68 81.49 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 118.671 -0.681 . . . . 10.0 111.837 174.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -60.24 -43.81 95.76 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 119.692 1.133 . . . . 10.0 111.367 173.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 27.4 mt -59.92 -52.5 60.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 C-N-CA 124.272 1.029 . . . . 10.0 109.709 175.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -61.14 -26.43 67.68 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.515 0.932 . . . . 10.0 113.515 177.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -82.38 -17.57 45.06 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 114.006 1.113 . . . . 10.0 114.006 173.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -104.01 -30.72 10.1 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 117.713 -1.136 . . . . 10.0 113.645 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.4 t -143.83 144.29 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.909 1.284 . . . . 10.0 110.063 178.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.4 t -74.53 136.24 42.17 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.67 -0.644 . . . . 10.0 112.677 178.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.44 -25.06 5.69 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.695 0.798 . . . . 10.0 112.394 167.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.3 tttm -65.7 -11.5 45.74 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.613 1.338 . . . . 10.0 114.613 175.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -124.71 9.52 8.3 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.164 0.985 . . . . 10.0 112.744 171.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.6 mt -102.61 126.62 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 C-N-CA 124.711 1.204 . . . . 10.0 108.088 172.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.7 t -70.84 -52.71 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 C-N-CA 124.384 1.073 . . . . 10.0 109.855 171.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -164.17 177.15 8.6 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.987 0.915 . . . . 10.0 112.343 178.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.9 pt -137.61 142.99 35.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.565 1.546 . . . . 10.0 111.632 170.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -113.81 118.67 34.91 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 124.995 1.318 . . . . 10.0 108.492 168.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.9 mt -131.27 121.65 49.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 N-CA-C 108.446 -0.946 . . . . 10.0 108.446 175.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 52.1 m -119.72 119.16 32.85 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 126.178 1.791 . . . . 10.0 108.466 176.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.0 t -115.55 120.65 65.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 N-CA-C 107.935 -1.135 . . . . 10.0 107.935 172.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 mp -117.85 139.26 51.35 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 125.378 1.471 . . . . 10.0 109.246 178.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.3 p -134.33 138.0 50.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 C-N-CA 123.947 0.899 . . . . 10.0 108.725 177.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -145.75 157.53 43.93 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.759 1.223 . . . . 10.0 110.637 -167.047 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -148.54 99.54 3.02 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.578 -0.701 . . . . 10.0 109.998 175.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.3 p -131.03 80.9 1.96 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.248 1.419 . . . . 10.0 109.247 -179.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.2 t70 64.92 -35.33 0.18 Allowed 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 127.491 2.317 . . . . 10.0 113.355 -168.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -108.04 149.57 28.26 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.619 1.968 . . . . 10.0 108.993 168.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.9 tt -85.24 127.51 34.33 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 107.631 -1.248 . . . . 10.0 107.631 171.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.1 tptt -129.89 146.51 51.61 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.492 0.663 . . . . 10.0 111.443 -178.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.8 p -136.17 145.57 30.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 124.735 1.214 . . . . 10.0 108.006 169.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -130.41 136.26 48.86 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 126.01 1.724 . . . . 10.0 108.19 175.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 21.8 mt -132.25 110.17 16.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 N-CA-C 107.41 -1.33 . . . . 10.0 107.41 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.0 t -117.97 122.11 42.39 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 108.436 -0.95 . . . . 10.0 108.436 175.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.28 138.35 49.24 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.073 0.949 . . . . 10.0 110.099 179.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -140.51 143.8 35.63 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.839 1.256 . . . . 10.0 109.818 172.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.12 127.46 43.06 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 125.353 1.461 . . . . 10.0 109.916 -171.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -107.71 102.93 12.11 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 107.994 -1.113 . . . . 10.0 107.994 -175.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.0 mt -86.91 151.94 22.87 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.583 1.153 . . . . 10.0 112.139 178.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -60.48 146.97 42.85 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 115.81 -0.632 . . . . 10.0 111.614 169.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -65.0 -8.13 14.65 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.508 1.299 . . . . 10.0 114.508 -178.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.25 11.99 9.46 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.139 1.776 . . . . 10.0 112.704 177.071 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 78.4 p -59.8 169.74 1.33 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.401 1.88 . . . . 10.0 113.734 169.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -148.67 94.74 2.32 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 122.16 0.981 . . . . 10.0 110.616 177.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -142.63 170.29 15.97 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.791 1.636 . . . . 10.0 112.813 -174.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -85.7 142.32 36.93 Favored Pre-proline 0 CA--C 1.55 0.963 0 N-CA-C 113.254 0.835 . . . . 10.0 113.254 -169.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -74.83 57.02 4.33 Favored 'Trans proline' 0 CA--C 1.547 1.158 1 C-N-CA 125.833 4.356 . . . . 10.0 112.988 -176.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 172.35 -5.24 0.03 OUTLIER Glycine 0 CA--C 1.539 1.547 0 C-N-CA 126.277 1.894 . . . . 10.0 115.18 -176.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.2 tt -55.69 -20.12 7.59 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 C-N-CA 126.667 1.987 . . . . 10.0 115.741 -172.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 57.9 t -78.66 -53.46 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 125.78 1.632 . . . . 10.0 111.188 175.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -53.01 -36.1 60.12 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.179 1.392 . . . . 10.0 111.373 176.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -63.58 -34.64 78.26 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 122.871 0.468 . . . . 10.0 111.516 173.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.564 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -70.6 -41.2 72.6 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-N 119.024 0.829 . . . . 10.0 111.258 178.227 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.49 HG12 ' CE2' ' A' ' 79' ' ' TYR . 1.7 t -67.98 -44.58 84.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 C-N-CA 122.712 0.405 . . . . 10.0 110.378 178.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -59.15 -42.02 89.71 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.749 1.619 . . . . 10.0 111.6 172.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.03 -41.66 99.59 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.658 0.663 . . . . 10.0 111.845 173.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.09 -42.65 99.43 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 119.105 0.866 . . . . 10.0 112.37 172.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.49 ' CE2' HG12 ' A' ' 75' ' ' VAL . 47.3 m-85 -63.59 -43.34 97.24 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.066 0.848 . . . . 10.0 112.323 176.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 73.0 mtt-85 -68.18 -39.26 82.56 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 118.784 0.72 . . . . 10.0 111.686 176.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.0 t -65.84 -29.66 70.16 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-O 117.526 -1.226 . . . . 10.0 112.448 174.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 33.0 tp -69.59 -43.58 72.52 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 119.91 1.232 . . . . 10.0 111.387 172.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -60.33 -41.51 93.73 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 118.26 0.482 . . . . 10.0 110.977 173.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.1 t -71.85 -30.17 65.17 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.303 0.853 . . . . 10.0 113.303 177.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -68.81 -42.23 77.54 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.161 0.985 . . . . 10.0 110.611 174.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.9 mt -74.9 -34.31 62.16 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 118.685 0.675 . . . . 10.0 112.389 177.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -58.6 -34.66 71.37 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 167.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -69.8 -11.25 65.77 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 123.904 0.764 . . . . 10.0 114.224 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -131.65 0.13 3.95 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 114.505 1.298 . . . . 10.0 114.505 -173.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 78.8 mtm180 -139.11 -42.27 0.47 Allowed 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 117.154 -1.403 . . . . 10.0 113.308 176.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 . . . . . 0 C--O 1.256 1.403 0 O-C-N 125.787 1.93 . . . . 10.0 110.518 -167.529 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 m -71.12 56.25 0.21 Allowed 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.03 1.732 . . . . 10.0 113.575 -176.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 84.1 mt -116.41 155.43 28.54 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.899 1.28 . . . . 10.0 112.488 -168.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 32.3 ttp180 -152.36 172.56 16.29 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.227 1.411 . . . . 10.0 110.173 -169.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -59.58 116.54 4.08 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.962 0.905 . . . . 10.0 109.885 174.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 65.9 mt -74.87 127.98 34.48 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 122.835 0.454 . . . . 10.0 110.751 -177.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.5 t -157.17 -168.05 2.51 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 125.478 1.511 . . . . 10.0 109.977 -176.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -69.04 36.63 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 129.706 3.202 . . . . 10.0 113.349 -177.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.15 -45.26 0.02 OUTLIER Glycine 0 CA--C 1.528 0.85 0 C-N-CA 126.654 2.073 . . . . 10.0 110.729 169.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.14 -35.05 73.79 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.707 1.203 . . . . 10.0 113.104 176.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.1 mt -67.43 -42.45 83.13 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.131 -0.981 . . . . 10.0 110.676 172.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.54 -39.87 92.63 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.01 1.324 . . . . 10.0 111.587 172.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -59.65 -43.96 93.71 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.241 1.016 . . . . 10.0 111.495 171.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.5 mt -64.93 -47.87 86.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-N 119.47 1.032 . . . . 10.0 110.945 176.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.51 -41.2 93.85 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.148 0.886 . . . . 10.0 111.281 175.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.8 t -60.9 -43.75 98.07 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.126 -0.984 . . . . 10.0 112.329 174.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -62.13 -41.67 98.48 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.734 1.214 . . . . 10.0 111.983 175.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.5 mt -65.12 -47.38 77.37 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.204 0.602 . . . . 10.0 111.705 173.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.7 t-160 -59.11 -46.85 87.26 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.434 0.694 . . . . 10.0 111.389 176.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -60.6 -41.81 95.53 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.815 0.846 . . . . 10.0 111.574 173.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.0 m -61.01 -44.43 97.43 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 118.617 0.644 . . . . 10.0 110.727 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.62 HG23 ' HB1' ' A' ' 74' ' ' ALA . 72.0 mt -70.58 -43.98 77.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-O 118.509 -0.757 . . . . 10.0 111.444 176.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.51 -51.86 57.42 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 119.123 0.874 . . . . 10.0 110.92 175.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -71.39 -37.44 71.55 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 114.86 -1.064 . . . . 10.0 111.235 -173.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -58.84 -45.88 89.02 Favored 'General case' 0 C--N 1.345 0.385 0 CA-C-O 119.089 -0.482 . . . . 10.0 110.749 169.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.2 mt -63.58 -48.71 85.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-N 119.005 0.821 . . . . 10.0 110.077 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.31 -11.1 13.3 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.151 1.167 . . . . 10.0 114.151 174.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.3 mtpt -111.13 4.78 19.61 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.757 1.623 . . . . 10.0 112.968 174.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -124.56 -25.55 4.0 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.254 1.422 . . . . 10.0 112.795 177.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 23.9 t -144.24 152.43 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 126.284 1.834 . . . . 10.0 109.189 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.9 t -90.2 136.8 32.82 Favored 'General case' 0 N--CA 1.464 0.227 0 O-C-N 121.167 -0.958 . . . . 10.0 112.672 -178.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.42 -24.4 3.05 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.779 1.232 . . . . 10.0 112.323 168.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.91 -31.88 13.37 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.754 1.222 . . . . 10.0 113.897 168.006 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -121.34 -15.82 8.02 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 114.561 1.319 . . . . 10.0 114.561 -178.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 44.7 mm -70.93 105.77 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 N-CA-C 107.961 -1.125 . . . . 10.0 107.961 169.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.4 t -68.97 -49.08 66.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 N-CA-C 109.141 -0.689 . . . . 10.0 109.141 170.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -161.86 177.06 10.2 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 121.398 0.618 . . . . 10.0 112.191 171.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 pp -134.85 143.13 38.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 125.282 1.433 . . . . 10.0 111.23 170.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -112.25 129.61 56.21 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 105.185 -2.154 . . . . 10.0 105.185 165.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 68.5 mt -131.36 124.59 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 N-CA-C 107.84 -1.171 . . . . 10.0 107.84 174.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.6 t -119.77 119.08 32.58 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.529 0.68 . . . . 10.0 109.891 169.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.7 m -115.87 117.25 54.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 C-N-CA 125.54 1.536 . . . . 10.0 108.582 177.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.3 mt -118.02 139.11 51.67 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 125.354 1.461 . . . . 10.0 109.603 -172.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.4 p -139.57 137.41 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 C-N-CA 123.889 0.876 . . . . 10.0 110.403 178.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -149.05 159.85 43.85 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.185 1.794 . . . . 10.0 109.336 -173.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -141.6 105.16 4.69 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 108.228 -1.027 . . . . 10.0 108.228 174.103 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.3 p -131.17 80.97 1.96 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 126.341 1.856 . . . . 10.0 108.686 -173.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.0 t70 65.97 -33.16 0.18 Allowed 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 127.472 2.309 . . . . 10.0 113.479 -168.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -123.19 159.96 27.55 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 127.774 2.43 . . . . 10.0 108.912 169.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.8 tp -84.59 129.07 34.89 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 106.858 -1.534 . . . . 10.0 106.858 175.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -125.97 136.91 53.55 Favored 'General case' 0 CA--C 1.526 0.031 0 C-N-CA 123.831 0.853 . . . . 10.0 109.551 -178.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.7 p -136.35 142.2 39.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 124.852 1.261 . . . . 10.0 108.297 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -140.76 141.07 34.87 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.197 0.599 . . . . 10.0 110.964 176.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 26.4 mt -132.87 129.4 57.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 C-N-CA 124.297 1.039 . . . . 10.0 111.207 -174.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.1 t -128.85 136.6 50.68 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 107.594 -1.261 . . . . 10.0 107.594 164.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.2 138.21 49.29 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.941 -0.763 . . . . 10.0 108.941 170.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -125.1 135.81 53.04 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 124.953 1.301 . . . . 10.0 108.621 -175.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.3 mt -116.8 104.34 11.23 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 125.055 1.342 . . . . 10.0 109.216 -172.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -97.68 102.87 14.73 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 108.036 -1.098 . . . . 10.0 108.036 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -85.17 151.88 23.78 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.149 1.38 . . . . 10.0 111.44 176.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.41 ' C ' ' H ' ' A' ' 63' ' ' LEU . 45.4 t0 -61.93 147.06 48.05 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.337 0.655 . . . . 10.0 111.603 169.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -71.06 20.0 0.05 OUTLIER 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.875 1.67 . . . . 10.0 113.363 -179.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.41 ' H ' ' C ' ' A' ' 61' ' ' ASP . 14.4 mt -144.75 17.42 1.63 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 129.647 3.179 . . . . 10.0 111.037 -174.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.6 m -154.03 146.15 23.71 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 119.971 -1.705 . . . . 10.0 111.65 172.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -137.76 94.6 2.92 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.462 1.105 . . . . 10.0 109.438 -167.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.91 -176.74 4.06 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 124.821 1.249 . . . . 10.0 111.642 169.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -85.58 144.08 39.54 Favored Pre-proline 0 CA--C 1.546 0.815 0 O-C-N 120.67 -1.268 . . . . 10.0 112.216 -169.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -75.28 60.37 5.62 Favored 'Trans proline' 0 CA--C 1.543 0.96 0 C-N-CA 125.197 3.931 . . . . 10.0 112.702 -175.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.16 -3.43 0.03 OUTLIER Glycine 0 CA--C 1.534 1.272 0 N-CA-C 116.637 1.415 . . . . 10.0 116.637 -178.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 78.0 mt -59.56 -26.15 33.69 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 CA-C-N 120.18 1.99 . . . . 10.0 113.111 -176.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.02 -53.27 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 123.621 0.768 . . . . 10.0 110.826 169.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -58.45 -41.0 84.17 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.738 0.815 . . . . 10.0 110.404 177.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -63.75 -41.38 98.02 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 122.477 0.311 . . . . 10.0 111.277 174.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.62 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -69.06 -44.49 72.5 Favored 'General case' 0 C--N 1.344 0.339 0 O-C-N 121.752 -0.593 . . . . 10.0 111.661 -177.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.453 HG12 ' CE2' ' A' ' 79' ' ' TYR . 22.0 t -76.17 -33.74 24.85 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-O 118.006 -0.997 . . . . 10.0 110.187 -176.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -58.73 -43.04 90.07 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 120.558 1.526 . . . . 10.0 111.481 167.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.01 -41.87 99.68 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 122.016 -0.427 . . . . 10.0 110.966 176.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.58 -44.87 92.81 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 118.713 -0.661 . . . . 10.0 112.746 172.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.453 ' CE2' HG12 ' A' ' 75' ' ' VAL . 29.7 m-85 -63.82 -43.54 95.92 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 119.523 1.056 . . . . 10.0 111.73 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 40.6 mtm180 -72.47 -34.42 67.71 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 118.512 0.596 . . . . 10.0 111.961 178.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.6 t -66.45 -25.84 66.92 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 118.172 -0.918 . . . . 10.0 112.95 169.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 25.2 tp -80.82 -37.73 29.57 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 119.181 0.901 . . . . 10.0 111.903 174.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -59.07 -41.12 87.2 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.544 1.066 . . . . 10.0 110.698 169.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.5 t -62.76 -27.66 69.44 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.118 0.967 . . . . 10.0 113.35 173.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -81.06 -42.26 21.32 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.61 1.164 . . . . 10.0 112.446 174.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -70.61 -15.8 62.78 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.648 1.579 . . . . 10.0 113.725 178.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -49.98 -13.32 0.1 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 127.864 2.466 . . . . 10.0 114.565 169.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -119.93 15.35 10.34 Favored Glycine 0 CA--C 1.536 1.36 0 CA-C-N 119.104 0.866 . . . . 10.0 114.715 171.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -125.8 -34.9 2.56 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.323 1.449 . . . . 10.0 113.035 -178.429 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 61.1 mtp85 -106.16 -18.53 13.99 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.422 0.689 . . . . 10.0 112.705 174.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.1 mp0 . . . . . 0 C--O 1.255 1.367 0 C-N-CA 127.117 2.167 . . . . 10.0 110.957 -178.838 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.479 1.01 0 CA-C-O 117.483 -1.246 . . . . 10.0 108.751 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.2 m 63.41 173.64 0.16 Allowed 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.959 1.304 . . . . 10.0 113.863 -175.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.447 ' H ' HD12 ' A' ' 3' ' ' LEU . 4.9 mp -67.62 166.9 14.09 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.521 1.128 . . . . 10.0 110.779 168.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.12 177.49 5.7 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 121.266 0.555 . . . . 10.0 110.506 170.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.491 ' O ' ' HE2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -49.8 115.5 1.4 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.636 1.174 . . . . 10.0 109.3 166.427 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.1 mt -82.27 115.78 21.49 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.391 -0.818 . . . . 10.0 110.423 -173.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.4 t -153.64 -170.31 3.55 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.653 1.181 . . . . 10.0 110.521 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -58.29 24.54 0.0 OUTLIER 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 131.318 3.847 . . . . 10.0 115.967 -178.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.14 -54.9 0.03 OUTLIER Glycine 0 CA--C 1.524 0.6 0 C-N-CA 126.066 1.793 . . . . 10.0 110.004 171.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -67.39 -41.85 84.31 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.778 0.831 . . . . 10.0 112.363 178.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.7 mt -68.93 -34.01 74.66 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.376 -0.828 . . . . 10.0 111.672 170.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -70.15 -35.71 74.23 Favored 'General case' 0 C--O 1.224 -0.247 0 N-CA-C 113.082 0.771 . . . . 10.0 113.082 175.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -54.99 -40.94 70.61 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.229 0.922 . . . . 10.0 110.067 168.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 82.2 mt -67.95 -43.16 85.9 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 CA-C-O 118.611 -0.709 . . . . 10.0 112.164 171.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.7 -42.58 88.92 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 119.9 1.227 . . . . 10.0 111.14 176.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.9 t -67.65 -43.97 79.02 Favored 'General case' 0 N--CA 1.458 -0.07 0 C-N-CA 126.625 1.97 . . . . 10.0 111.24 177.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -59.51 -42.65 92.71 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.679 0.672 . . . . 10.0 111.768 174.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 81.5 mt -67.84 -50.73 55.0 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.16 0.584 . . . . 10.0 111.607 178.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -58.23 -48.47 80.3 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.083 0.553 . . . . 10.0 111.418 176.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -61.24 -38.82 88.05 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 118.898 -0.572 . . . . 10.0 111.82 176.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.5 m -61.19 -47.08 87.79 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.084 0.856 . . . . 10.0 110.846 178.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.9 mt -62.81 -44.69 99.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-N 118.554 0.615 . . . . 10.0 110.413 174.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.5 t -59.67 -51.2 70.83 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.301 0.64 . . . . 10.0 112.538 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -58.45 -38.79 78.26 Favored 'General case' 0 C--N 1.344 0.352 0 N-CA-C 114.265 1.209 . . . . 10.0 114.265 169.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -71.26 -40.43 70.98 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.527 1.058 . . . . 10.0 109.025 -176.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 42.5 mt -59.9 -49.02 85.51 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 124.457 1.103 . . . . 10.0 110.172 171.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -60.93 -24.94 66.41 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.487 1.04 . . . . 10.0 113.604 175.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.9 mttp -97.6 9.38 42.65 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.789 1.636 . . . . 10.0 112.655 175.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -121.79 -39.0 2.67 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.774 1.63 . . . . 10.0 113.534 175.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.5 p -143.84 145.37 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 124.399 1.08 . . . . 10.0 111.679 -175.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.5 t -68.38 112.62 5.35 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.112 0.965 . . . . 10.0 112.058 -177.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.46 -24.87 5.51 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.295 1.438 . . . . 10.0 114.015 170.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -65.38 -8.39 18.32 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.02 1.119 . . . . 10.0 114.02 171.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -117.67 3.18 12.35 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.842 2.057 . . . . 10.0 111.2 176.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.3 mm -100.75 120.95 50.95 Favored 'Isoleucine or valine' 0 C--N 1.34 0.187 0 C-N-CA 125.036 1.334 . . . . 10.0 108.376 177.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.3 t -68.98 -50.44 53.82 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 C-N-CA 124.545 1.138 . . . . 10.0 109.314 171.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -165.34 177.18 7.73 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.852 0.861 . . . . 10.0 112.171 175.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.0 pt -135.89 140.17 44.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 125.036 1.334 . . . . 10.0 111.216 169.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -107.47 121.32 44.37 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 107.311 -1.366 . . . . 10.0 107.311 167.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 79.9 mt -131.09 122.57 51.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 N-CA-C 108.199 -1.038 . . . . 10.0 108.199 172.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 58.3 m -119.79 121.17 38.53 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 125.454 1.502 . . . . 10.0 108.49 176.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.6 t -115.65 123.87 71.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 C-N-CA 124.431 1.092 . . . . 10.0 108.115 171.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 mp -117.73 139.15 51.45 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 125.576 1.55 . . . . 10.0 109.093 175.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.2 p -139.52 131.3 34.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 C-N-CA 123.727 0.811 . . . . 10.0 109.334 175.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -144.68 159.91 42.06 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.186 1.394 . . . . 10.0 110.672 -172.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -141.13 106.27 4.99 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 108.831 -0.803 . . . . 10.0 108.831 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.8 t -131.37 80.88 1.95 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.917 1.287 . . . . 10.0 108.851 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.0 t70 64.79 -44.75 0.32 Allowed 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 127.738 2.415 . . . . 10.0 112.607 -166.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -99.12 153.76 18.65 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.736 2.014 . . . . 10.0 109.674 167.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 57.7 tp -85.32 129.31 34.84 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.42 1.488 . . . . 10.0 109.211 169.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.88 137.23 53.72 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.515 0.726 . . . . 10.0 110.457 174.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.2 p -136.2 132.47 49.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 C-N-CA 125.066 1.346 . . . . 10.0 108.284 172.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -137.3 134.58 36.24 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 124.759 1.224 . . . . 10.0 108.936 -169.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 42.5 mt -132.18 130.44 60.69 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.112 0 N-CA-C 108.172 -1.047 . . . . 10.0 108.172 -171.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.4 m -131.9 130.31 41.45 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 123.664 0.786 . . . . 10.0 109.601 168.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.22 142.01 50.11 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.128 0.971 . . . . 10.0 110.415 176.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -139.51 147.46 41.3 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.018 1.327 . . . . 10.0 110.428 176.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.6 tp -124.47 105.35 9.33 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 126.18 1.792 . . . . 10.0 110.568 -168.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -91.47 102.8 15.47 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 108.512 -0.922 . . . . 10.0 108.512 177.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.3 mt -82.3 151.74 26.61 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 125.676 1.59 . . . . 10.0 111.813 173.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -62.26 133.55 55.3 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 108.42 -0.956 . . . . 10.0 108.42 166.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 pm0 -64.89 -5.85 6.98 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 114.93 1.456 . . . . 10.0 114.93 -175.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.9 tt -92.2 -7.23 48.88 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.407 1.083 . . . . 10.0 113.001 169.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.6 t -105.35 167.89 9.44 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.705 1.139 . . . . 10.0 112.7 179.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -157.58 94.92 1.4 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.921 1.688 . . . . 10.0 109.887 -169.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.93 -173.46 2.98 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.081 1.352 . . . . 10.0 112.42 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -85.3 144.82 41.4 Favored Pre-proline 0 CA--C 1.549 0.905 0 O-C-N 120.631 -1.293 . . . . 10.0 112.002 -168.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -73.64 45.74 1.11 Allowed 'Trans proline' 0 CA--C 1.547 1.161 1 C-N-CA 126.276 4.651 . . . . 10.0 114.803 -169.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.16 9.21 0.02 OUTLIER Glycine 0 CA--C 1.538 1.508 0 C-N-CA 127.097 2.284 . . . . 10.0 114.328 176.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 8.4 tt -66.39 -19.24 25.37 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 CA-C-N 119.014 1.407 . . . . 10.0 114.393 -169.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.3 t -83.65 -50.63 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 124.386 1.074 . . . . 10.0 110.053 171.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -55.52 -41.18 72.79 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.81 1.244 . . . . 10.0 111.659 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -64.04 -29.84 70.95 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.191 0.811 . . . . 10.0 113.191 174.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.24 -36.28 74.39 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 118.453 0.57 . . . . 10.0 111.859 172.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.6 t -70.01 -44.46 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-O 119.053 -0.499 . . . . 10.0 110.34 176.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -58.7 -39.2 80.08 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 118.745 0.702 . . . . 10.0 111.365 169.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.75 -43.54 98.53 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 119.095 0.861 . . . . 10.0 110.824 175.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.98 -42.9 91.11 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.394 0.997 . . . . 10.0 112.655 170.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -65.03 -43.3 92.85 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 118.99 0.814 . . . . 10.0 112.887 176.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -72.54 -29.95 64.01 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 119.438 1.017 . . . . 10.0 112.811 178.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.9 m -66.83 -44.71 80.39 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-O 118.145 -0.931 . . . . 10.0 110.343 168.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 32.2 tp -62.31 -40.22 95.58 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 119.628 1.104 . . . . 10.0 112.803 175.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -58.63 -36.4 74.02 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 125.289 1.435 . . . . 10.0 110.754 176.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.0 m -82.52 -35.69 27.07 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.67 1.188 . . . . 10.0 112.584 175.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -58.9 -39.28 81.01 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 125.579 1.552 . . . . 10.0 113.092 -174.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -59.96 -31.18 69.65 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.891 0.7 . . . . 10.0 112.891 178.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -59.95 -33.88 72.51 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 118.816 0.734 . . . . 10.0 110.541 176.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -62.84 -6.33 11.84 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.957 1.265 . . . . 10.0 115.006 176.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -128.72 -1.51 5.4 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.145 1.378 . . . . 10.0 113.124 178.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.2 mtp85 -145.59 -49.78 0.23 Allowed 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 114.65 1.352 . . . . 10.0 114.65 -168.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 . . . . . 0 C--O 1.258 1.52 0 O-C-N 125.438 1.711 . . . . 10.0 111.311 -165.268 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 118.617 -0.706 . . . . 10.0 109.758 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.6 t -156.02 111.46 2.97 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.125 0.97 . . . . 10.0 108.663 171.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.7 mt -86.23 165.61 16.36 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.697 0.799 . . . . 10.0 111.351 -177.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 -143.74 167.04 23.21 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.376 1.071 . . . . 10.0 112.298 -167.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.8 mptt -66.29 116.81 7.74 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 105.468 -2.049 . . . . 10.0 105.468 165.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 90.7 mt -74.83 125.63 29.2 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 121.275 0.56 . . . . 10.0 111.425 -169.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.8 p -124.78 178.57 5.4 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 126.969 2.108 . . . . 10.0 110.18 178.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -49.42 -36.24 21.63 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.817 0.847 . . . . 10.0 112.465 170.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.2 -41.83 68.33 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-N 118.309 0.504 . . . . 10.0 113.023 177.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -70.06 -39.23 75.79 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 117.891 0.845 . . . . 10.0 111.152 177.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.9 mp -64.09 -38.76 92.23 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 113.574 0.953 . . . . 10.0 113.574 169.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -63.92 -46.02 86.67 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.221 0.918 . . . . 10.0 111.389 170.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -62.21 -39.36 92.52 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 119.147 0.885 . . . . 10.0 113.093 175.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 52.3 mt -64.86 -44.52 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-N 119.542 1.065 . . . . 10.0 110.088 172.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.7 m -63.25 -41.07 99.01 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.066 0.546 . . . . 10.0 111.474 179.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.5 t -63.49 -43.98 95.68 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.409 1.883 . . . . 10.0 112.098 172.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -61.22 -42.46 98.64 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 124.07 0.948 . . . . 10.0 111.755 175.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.8 mt -67.86 -47.47 68.83 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.355 0.662 . . . . 10.0 111.575 176.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -56.02 -49.08 74.68 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.209 0.604 . . . . 10.0 111.487 174.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -60.69 -41.45 95.19 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 122.692 0.397 . . . . 10.0 111.706 176.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.8 m -61.09 -46.28 91.28 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.459 0.704 . . . . 10.0 111.164 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.442 HG23 ' HB1' ' A' ' 74' ' ' ALA . 64.0 mt -63.94 -44.47 97.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 CA-C-N 118.249 0.477 . . . . 10.0 110.502 174.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.7 t -58.92 -51.01 71.85 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.279 0.632 . . . . 10.0 112.221 178.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -59.56 -38.76 81.97 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 113.344 0.868 . . . . 10.0 113.344 171.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -64.17 -45.68 87.33 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 119.677 1.126 . . . . 10.0 110.944 178.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 82.3 mt -62.03 -52.75 56.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 123.627 0.771 . . . . 10.0 109.533 176.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.3 mp -63.76 -9.36 14.05 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 114.636 1.347 . . . . 10.0 114.636 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -115.45 4.23 14.26 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.773 1.229 . . . . 10.0 112.49 177.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.2 ttt-85 -123.39 -15.57 7.11 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.903 1.281 . . . . 10.0 113.62 170.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.2 t -142.02 149.73 19.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 127.706 2.403 . . . . 10.0 107.616 175.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.8 t -97.97 136.2 38.6 Favored 'General case' 0 N--CA 1.464 0.261 0 O-C-N 121.011 -1.056 . . . . 10.0 112.226 -173.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.71 -24.65 3.55 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.711 1.604 . . . . 10.0 114.468 177.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -61.84 -24.74 67.09 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 115.183 1.549 . . . . 10.0 115.183 172.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.9 pm0 -110.12 -16.54 13.77 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.121 1.156 . . . . 10.0 114.121 175.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 37.0 mm -72.88 114.45 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 123.81 0.844 . . . . 10.0 108.911 169.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 19.7 t -72.5 -49.96 38.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 109.01 -0.737 . . . . 10.0 109.01 168.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -163.86 177.0 8.94 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.454 0.702 . . . . 10.0 112.492 172.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.0 pt -137.11 143.03 35.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 C-N-CA 125.525 1.53 . . . . 10.0 109.886 170.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -127.54 119.5 26.16 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 123.774 0.83 . . . . 10.0 109.193 176.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.6 mt -131.16 126.34 58.96 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.129 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 -173.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 90.3 m -119.76 120.39 36.4 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 125.63 1.572 . . . . 10.0 108.241 176.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.1 t -115.51 126.49 73.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 N-CA-C 107.247 -1.39 . . . . 10.0 107.247 173.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 88.3 mt -117.73 135.62 53.91 Favored 'General case' 0 C--N 1.334 -0.096 0 C-N-CA 124.354 1.062 . . . . 10.0 108.674 178.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.2 p -139.79 132.84 35.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 C-N-CA 123.856 0.862 . . . . 10.0 110.447 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -144.8 159.95 42.04 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.716 1.606 . . . . 10.0 110.973 -173.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -137.41 99.77 4.05 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.457 0.703 . . . . 10.0 109.205 174.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.9 p -131.27 80.57 1.94 Allowed 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 108.05 -1.093 . . . . 10.0 108.05 -178.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.0 t70 62.73 -41.17 0.17 Allowed 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 127.31 2.244 . . . . 10.0 113.063 -167.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -98.31 144.42 27.74 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.972 2.509 . . . . 10.0 109.181 168.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.8 tp -85.25 118.91 25.08 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 105.918 -1.882 . . . . 10.0 105.918 167.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.1 tttp -131.14 132.8 45.04 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 121.155 0.503 . . . . 10.0 110.441 -170.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.3 p -136.26 141.94 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 C-N-CA 124.981 1.312 . . . . 10.0 109.33 -177.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -137.02 145.58 44.24 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.374 1.07 . . . . 10.0 110.533 175.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.3 mt -132.41 121.79 46.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 125.419 1.488 . . . . 10.0 108.838 -172.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.6 t -129.2 127.92 42.28 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 124.002 0.921 . . . . 10.0 109.433 174.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.24 139.46 49.66 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.334 1.054 . . . . 10.0 110.693 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -128.02 143.44 51.08 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 125.962 1.705 . . . . 10.0 109.441 176.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 68.2 tp -128.07 104.3 7.7 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.943 1.697 . . . . 10.0 111.632 -166.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -97.63 104.53 16.57 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 121.311 0.577 . . . . 10.0 110.842 -178.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -82.37 152.15 26.34 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 125.187 1.395 . . . . 10.0 111.276 168.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -56.63 147.4 22.61 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 115.056 -0.975 . . . . 10.0 111.845 168.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.89 6.85 0.2 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.82 2.048 . . . . 10.0 114.116 -176.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.33 7.81 9.06 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.309 2.243 . . . . 10.0 112.427 175.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.7 m -132.03 156.39 46.34 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.746 1.618 . . . . 10.0 112.45 -174.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -154.99 94.92 1.69 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.542 1.137 . . . . 10.0 109.628 -171.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.2 169.6 15.79 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.869 1.268 . . . . 10.0 112.727 175.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -85.32 140.43 36.46 Favored Pre-proline 0 CA--C 1.548 0.9 0 O-C-N 120.717 -1.239 . . . . 10.0 111.822 -169.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -72.25 69.14 3.3 Favored 'Trans proline' 0 C--N 1.356 0.928 1 C-N-CA 125.482 4.122 . . . . 10.0 112.152 -176.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.03 -15.95 0.03 OUTLIER Glycine 0 CA--C 1.534 1.235 0 C-N-CA 126.321 1.915 . . . . 10.0 113.952 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.1 mt -61.35 -38.64 80.38 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-N 119.751 1.775 . . . . 10.0 112.828 -177.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 86.8 t -66.85 -50.48 64.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 123.79 0.836 . . . . 10.0 110.174 175.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.42 -45.2 72.93 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.225 1.81 . . . . 10.0 110.964 176.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -63.87 -39.61 94.61 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.936 0.895 . . . . 10.0 111.958 172.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.442 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -66.38 -43.35 86.14 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.873 1.215 . . . . 10.0 111.346 179.612 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 48.3 t -66.71 -45.96 86.88 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 125.497 1.519 . . . . 10.0 110.804 177.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -58.79 -40.48 84.14 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.161 1.384 . . . . 10.0 112.653 170.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.97 -39.36 93.37 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.038 -1.039 . . . . 10.0 111.849 174.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.28 -43.07 98.98 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 118.966 -0.54 . . . . 10.0 111.906 170.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -63.02 -43.18 99.43 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.26 0.936 . . . . 10.0 112.767 175.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 76.9 mtt-85 -63.68 -40.94 98.05 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.109 0.868 . . . . 10.0 111.309 175.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.0 m -63.17 -36.51 83.87 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 123.586 0.754 . . . . 10.0 111.5 175.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.3 tp -70.51 -45.31 65.84 Favored 'General case' 0 C--N 1.34 0.189 0 C-N-CA 123.449 0.7 . . . . 10.0 112.539 174.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -59.01 -41.19 87.11 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.315 0.961 . . . . 10.0 110.835 178.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . 0.311 26.6 m -74.24 -17.79 60.83 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 115.637 1.717 . . . . 10.0 115.637 173.146 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -65.64 -41.11 93.0 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.238 0.926 . . . . 10.0 108.98 165.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -76.84 -22.75 53.1 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 116.999 -1.476 . . . . 10.0 114.506 174.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -51.78 -29.57 19.51 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 120.502 1.501 . . . . 10.0 110.545 168.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -84.88 -14.84 68.91 Favored Glycine 0 CA--C 1.534 1.28 0 O-C-N 121.113 -0.992 . . . . 10.0 114.299 177.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -89.73 -19.01 25.29 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.646 1.178 . . . . 10.0 112.952 177.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.7 mtt-85 -137.63 -70.66 0.44 Allowed 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 118.547 -0.739 . . . . 10.0 111.444 -170.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 . . . . . 0 C--O 1.25 1.116 0 C-N-CA 128.154 2.582 . . . . 10.0 109.103 -174.235 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 107.309 -1.367 . . . . 10.0 107.309 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t 52.95 -162.58 0.1 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.884 0.873 . . . . 10.0 111.702 -166.809 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -128.97 -169.41 2.08 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.263 1.425 . . . . 10.0 113.037 -169.881 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.7 ttt-85 -123.67 165.58 16.99 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.771 2.028 . . . . 10.0 109.182 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 51.8 mmtt -48.83 113.35 0.76 Allowed 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.442 1.097 . . . . 10.0 110.088 169.899 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 74.4 mt -74.96 106.01 6.26 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 121.134 0.492 . . . . 10.0 109.874 179.843 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.8 t -130.99 173.87 10.57 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 126.238 1.815 . . . . 10.0 106.765 171.308 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -43.3 -35.88 1.64 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 128.186 2.594 . . . . 10.0 113.624 -173.089 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.28 -57.65 11.18 Favored Glycine 0 CA--C 1.533 1.203 0 CA-C-N 119.041 0.837 . . . . 10.0 114.091 173.394 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.85 -38.9 89.97 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.204 1.402 . . . . 10.0 111.267 178.234 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.0 mt -69.44 -40.76 77.01 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.388 1.075 . . . . 10.0 111.875 176.633 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -59.88 -45.76 91.48 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 119.122 0.874 . . . . 10.0 111.013 169.771 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -62.7 -37.83 88.02 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.048 0.84 . . . . 10.0 112.568 176.196 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.3 mt -64.87 -39.23 84.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 O-C-N 120.549 -1.345 . . . . 10.0 110.78 172.015 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.4 p -59.53 -40.83 88.48 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.31 -0.869 . . . . 10.0 112.08 170.483 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.44 -43.87 97.79 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 125.257 1.423 . . . . 10.0 110.981 174.243 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -58.96 -42.62 90.32 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.674 0.79 . . . . 10.0 111.812 174.583 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 93.6 mt -67.24 -47.66 70.11 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 118.551 0.614 . . . . 10.0 112.219 176.46 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -60.88 -44.16 97.46 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.343 0.657 . . . . 10.0 111.826 178.108 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -63.91 -40.22 95.98 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 118.353 -0.832 . . . . 10.0 111.558 172.121 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.0 m -60.94 -46.67 89.78 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.886 1.221 . . . . 10.0 111.764 -179.402 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.457 HG23 ' HB1' ' A' ' 74' ' ' ALA . 29.6 mt -64.31 -44.29 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-N 118.435 0.561 . . . . 10.0 110.44 174.235 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.0 m -59.36 -50.56 73.51 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.534 0.734 . . . . 10.0 112.055 -179.123 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -58.79 -38.78 79.31 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 114.812 1.412 . . . . 10.0 114.812 170.86 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.516 ' CE1' ' HD2' ' A' ' 29' ' ' ARG . 24.9 t80 -65.25 -45.83 82.99 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.385 0.993 . . . . 10.0 110.431 176.649 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.9 mt -59.94 -51.74 69.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 124.199 1.0 . . . . 10.0 109.724 176.631 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.08 -8.96 13.6 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 114.554 1.316 . . . . 10.0 114.554 177.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.5 mtmm -112.9 8.17 18.54 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.869 1.268 . . . . 10.0 112.736 171.639 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.516 ' HD2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -117.14 -34.79 4.25 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.854 1.662 . . . . 10.0 113.579 170.306 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.2 p -145.84 146.21 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 125.266 1.427 . . . . 10.0 110.045 -175.376 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.8 t -81.15 136.49 35.89 Favored 'General case' 0 N--CA 1.462 0.146 0 O-C-N 121.517 -0.739 . . . . 10.0 111.017 -179.56 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.95 -24.84 3.96 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.788 1.235 . . . . 10.0 112.917 168.774 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -64.52 -15.22 60.54 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 114.771 1.397 . . . . 10.0 114.771 171.251 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -99.78 -12.99 19.45 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.321 1.848 . . . . 10.0 111.431 175.826 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.5 mm -98.08 127.42 50.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 C-N-CA 126.0 1.72 . . . . 10.0 109.462 -173.149 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.5 t -75.34 -52.45 18.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 C-N-CA 123.824 0.85 . . . . 10.0 108.763 168.904 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -165.51 177.15 7.61 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.258 1.023 . . . . 10.0 111.741 173.408 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 21.4 pt -135.84 143.08 37.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 125.039 1.336 . . . . 10.0 111.254 171.885 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -112.44 119.98 40.07 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 108.103 -1.073 . . . . 10.0 108.103 168.652 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.0 mt -131.11 113.23 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 108.458 -0.942 . . . . 10.0 108.458 173.899 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.5 m -119.75 117.75 29.05 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 124.923 1.289 . . . . 10.0 108.503 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.7 m -115.69 122.13 68.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 C-N-CA 125.917 1.687 . . . . 10.0 109.407 -176.596 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -117.73 139.34 51.18 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 125.089 1.356 . . . . 10.0 109.148 -177.831 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.3 p -131.95 140.44 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 123.47 0.708 . . . . 10.0 109.537 176.854 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -145.99 152.79 39.94 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.678 1.191 . . . . 10.0 110.235 -169.07 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -145.16 99.57 3.34 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.215 0.606 . . . . 10.0 109.775 174.804 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 31.0 m -131.18 92.61 3.22 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.883 1.273 . . . . 10.0 107.62 179.818 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.3 t70 63.05 -27.28 0.07 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 127.263 2.225 . . . . 10.0 114.551 -169.226 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.8 159.95 41.11 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 127.702 2.401 . . . . 10.0 110.389 172.21 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 36.3 tp -85.0 129.36 34.81 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.736 2.014 . . . . 10.0 109.894 -178.241 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.6 ttpp -131.03 147.57 52.64 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.525 0.678 . . . . 10.0 110.79 170.821 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.2 p -136.1 135.84 49.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 124.672 1.189 . . . . 10.0 107.998 169.811 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -122.59 138.75 54.49 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 125.468 1.507 . . . . 10.0 108.349 -177.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.6 mt -131.61 110.55 17.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 N-CA-C 107.167 -1.42 . . . . 10.0 107.167 -172.115 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.0 m -109.47 122.14 46.73 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 108.017 -1.105 . . . . 10.0 108.017 173.227 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.19 141.83 50.11 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.405 0.682 . . . . 10.0 110.252 175.048 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.69 145.87 45.23 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 125.91 1.684 . . . . 10.0 109.564 177.158 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 23.5 tp -127.96 104.17 7.65 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 125.424 1.49 . . . . 10.0 109.59 -169.132 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -94.95 102.61 14.45 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 108.07 -1.085 . . . . 10.0 108.07 179.174 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.1 mt -83.63 151.82 25.12 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 126.722 2.009 . . . . 10.0 111.321 174.589 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -68.16 142.29 55.78 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 111.636 0.236 . . . . 10.0 111.636 171.358 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -71.79 34.69 0.06 Allowed 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 129.529 3.132 . . . . 10.0 113.124 -174.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.1 tt -162.2 -23.72 0.05 OUTLIER 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 128.923 2.889 . . . . 10.0 111.761 -169.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 85.9 p -65.93 165.9 12.31 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.805 1.642 . . . . 10.0 113.613 169.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -146.17 94.89 2.53 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.88 1.672 . . . . 10.0 108.837 179.514 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -112.65 177.08 4.76 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.636 1.574 . . . . 10.0 111.61 175.71 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -85.54 146.06 43.42 Favored Pre-proline 0 CA--C 1.547 0.861 0 N-CA-C 113.705 1.002 . . . . 10.0 113.705 -167.643 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -74.8 44.03 1.05 Allowed 'Trans proline' 0 CA--C 1.548 1.189 1 C-N-CA 126.079 4.52 . . . . 10.0 114.408 -170.79 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.07 16.69 0.03 OUTLIER Glycine 0 CA--C 1.538 1.504 0 C-N-CA 126.74 2.114 . . . . 10.0 113.901 174.52 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 8.0 tt -66.05 -29.05 45.57 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 N-CA-C 114.819 1.415 . . . . 10.0 114.819 -167.924 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.6 p -86.18 -35.78 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 123.831 0.852 . . . . 10.0 112.178 169.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.89 -38.73 70.58 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.746 1.218 . . . . 10.0 111.182 174.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -63.85 -39.03 93.24 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 118.655 -0.688 . . . . 10.0 111.988 169.88 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.457 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -65.76 -42.62 90.66 Favored 'General case' 0 C--N 1.343 0.296 0 CA-C-N 119.711 1.141 . . . . 10.0 111.793 178.13 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.403 HG12 ' CE2' ' A' ' 79' ' ' TYR . 2.3 t -68.25 -47.46 77.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-O 118.611 -0.709 . . . . 10.0 110.415 178.168 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -59.55 -37.25 77.92 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.769 1.168 . . . . 10.0 112.847 172.518 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.89 -41.71 99.52 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.924 1.238 . . . . 10.0 111.519 174.123 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.65 97.07 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 118.582 -0.723 . . . . 10.0 111.884 169.766 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.403 ' CE2' HG12 ' A' ' 75' ' ' VAL . 44.1 m-85 -65.04 -43.28 92.88 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 117.782 -1.104 . . . . 10.0 112.866 176.173 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.6 -41.45 96.2 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 120.135 1.334 . . . . 10.0 110.846 174.935 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.8 t -63.13 -48.21 79.45 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-O 118.695 -0.669 . . . . 10.0 110.442 178.306 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -61.21 -44.01 97.96 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.429 1.091 . . . . 10.0 112.112 176.179 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -58.92 -41.03 86.32 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.495 1.518 . . . . 10.0 112.023 177.394 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 51.9 m -79.08 -26.75 42.98 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.911 1.078 . . . . 10.0 113.911 170.852 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -65.64 -42.32 91.58 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 120.703 -1.248 . . . . 10.0 112.317 -176.025 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -73.36 -34.25 65.51 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.528 1.058 . . . . 10.0 111.65 178.783 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -58.62 -39.61 80.96 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.164 0.586 . . . . 10.0 109.733 168.902 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -69.91 -5.98 54.42 Favored Glycine 0 CA--C 1.535 1.306 0 CA-C-O 118.477 -1.179 . . . . 10.0 115.344 179.013 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -132.01 -19.34 2.57 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 115.839 1.792 . . . . 10.0 115.839 -177.244 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.84 -12.26 3.34 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-O 116.763 -1.589 . . . . 10.0 115.265 170.68 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 . . . . . 0 C--O 1.26 1.633 0 CA-C-O 116.527 -1.701 . . . . 10.0 109.938 -166.955 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.0 mmt . . . . . 0 N--CA 1.478 0.971 0 CA-C-O 118.245 -0.883 . . . . 10.0 108.92 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m 61.72 165.85 0.1 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.766 1.626 . . . . 10.0 114.249 -171.574 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.27 179.17 6.18 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.092 1.757 . . . . 10.0 111.399 -172.755 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -86.49 166.19 15.69 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.992 0.917 . . . . 10.0 110.783 179.308 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -64.87 111.9 3.03 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 108.681 -0.859 . . . . 10.0 108.681 173.129 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 76.6 mt -74.57 119.08 18.27 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 123.735 0.647 . . . . 10.0 111.03 -167.853 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.9 t -138.82 -168.15 2.36 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.43 1.492 . . . . 10.0 109.883 171.888 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -47.19 -42.02 19.16 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.85 1.66 . . . . 10.0 112.854 -176.794 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.38 -48.52 68.2 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 123.736 0.684 . . . . 10.0 113.599 179.084 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.29 -40.76 94.27 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 118.481 1.14 . . . . 10.0 111.049 178.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mp -65.14 -43.5 91.69 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.732 0.813 . . . . 10.0 112.377 174.854 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -64.16 -37.1 86.24 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.11 0.868 . . . . 10.0 112.313 172.07 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -65.75 -44.05 87.08 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 118.985 0.811 . . . . 10.0 111.965 174.118 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.6 mt -64.92 -48.11 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-N 119.158 0.89 . . . . 10.0 110.201 175.016 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.8 m -59.37 -38.15 79.73 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.944 0.793 . . . . 10.0 112.226 175.732 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.1 m -65.64 -43.55 89.11 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.916 0.886 . . . . 10.0 112.164 172.831 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -58.65 -41.39 85.96 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.488 0.715 . . . . 10.0 111.794 173.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.5 mt -65.77 -48.36 72.08 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.41 0.684 . . . . 10.0 111.829 175.003 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -57.49 -44.77 85.22 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.222 0.609 . . . . 10.0 112.027 175.584 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -64.47 -41.23 96.62 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.452 0.701 . . . . 10.0 111.757 174.59 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.8 m -61.19 -47.2 87.25 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.654 0.782 . . . . 10.0 111.279 179.212 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.417 HG23 ' HB1' ' A' ' 74' ' ' ALA . 30.5 mt -65.16 -40.62 89.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-O 119.338 -0.363 . . . . 10.0 110.561 175.177 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.5 m -59.24 -51.03 71.71 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.355 0.662 . . . . 10.0 111.853 177.493 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.43 -38.83 78.25 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 115.01 1.485 . . . . 10.0 115.01 169.487 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.454 ' CD1' ' HA ' ' A' ' 74' ' ' ALA . 27.7 t80 -66.85 -44.54 80.77 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 119.534 1.061 . . . . 10.0 110.547 179.71 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 53.6 mt -60.07 -53.14 52.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 124.625 1.17 . . . . 10.0 110.039 173.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.05 -14.36 35.27 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.15 1.167 . . . . 10.0 114.15 -179.645 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -114.21 11.09 17.4 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.813 1.245 . . . . 10.0 112.513 175.732 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.8 ttm-85 -129.33 -24.52 2.81 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 115.079 1.511 . . . . 10.0 115.079 173.775 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.8 p -150.03 148.17 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.227 1.411 . . . . 10.0 109.333 -179.017 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 40.3 t -87.37 136.25 33.01 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 116.151 1.908 . . . . 10.0 116.151 -166.707 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.84 -24.48 3.56 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.107 1.363 . . . . 10.0 113.069 166.205 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -70.91 -22.13 62.29 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.398 1.258 . . . . 10.0 114.398 173.179 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -111.38 -29.47 7.79 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.096 1.358 . . . . 10.0 111.697 179.347 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.1 mm -71.89 113.93 9.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 C-N-CA 124.77 1.228 . . . . 10.0 109.037 168.893 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 25.2 t -69.21 -50.71 50.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 C-N-CA 124.093 0.957 . . . . 10.0 109.592 168.689 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -164.05 177.11 8.71 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.474 0.71 . . . . 10.0 112.049 176.764 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 35.0 pt -137.35 143.27 34.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 125.021 1.329 . . . . 10.0 112.255 175.902 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -115.07 107.27 15.12 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 123.985 0.914 . . . . 10.0 109.022 168.375 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.5 mm -103.3 124.96 57.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 N-CA-C 107.208 -1.404 . . . . 10.0 107.208 169.023 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.9 m -116.42 117.67 30.58 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 108.367 -0.975 . . . . 10.0 108.367 175.178 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -115.84 118.41 58.7 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 C-N-CA 126.96 2.104 . . . . 10.0 109.257 -176.283 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -114.55 138.96 49.99 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 124.758 1.223 . . . . 10.0 108.598 178.54 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.7 p -139.5 131.44 34.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 C-N-CA 124.585 1.154 . . . . 10.0 108.67 178.882 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.41 159.97 43.1 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.925 1.29 . . . . 10.0 110.926 -170.36 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -144.38 99.64 3.4 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.733 0.778 . . . . 10.0 109.298 179.383 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -131.27 80.69 1.95 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.705 1.602 . . . . 10.0 108.675 -176.434 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.3 t70 64.71 -44.04 0.31 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 127.245 2.218 . . . . 10.0 112.054 -167.386 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -98.18 155.02 17.36 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.647 1.579 . . . . 10.0 110.219 166.867 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.1 tp -85.23 129.26 34.84 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 106.161 -1.792 . . . . 10.0 106.161 165.829 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -129.38 137.42 50.93 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.403 0.681 . . . . 10.0 109.87 179.796 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.4 t -136.1 130.75 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 N-CA-C 107.619 -1.252 . . . . 10.0 107.619 174.492 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -137.02 131.91 33.5 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 124.352 1.061 . . . . 10.0 108.637 -171.725 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.4 mt -132.09 128.11 58.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 C-N-CA 123.699 0.8 . . . . 10.0 109.073 -170.218 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.8 m -127.65 140.12 52.29 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 125.521 1.528 . . . . 10.0 108.909 176.146 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.34 149.34 52.59 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.295 0.638 . . . . 10.0 112.28 179.458 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.08 141.35 48.16 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.383 1.473 . . . . 10.0 109.129 168.546 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.2 tp -128.01 104.03 7.56 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 125.82 1.648 . . . . 10.0 108.267 -169.502 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -95.17 105.89 17.86 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 -172.475 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -82.27 151.92 26.58 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 125.057 1.343 . . . . 10.0 111.146 171.572 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.424 ' C ' ' H ' ' A' ' 63' ' ' LEU . 24.9 t0 -56.97 147.28 24.33 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.595 -0.73 . . . . 10.0 111.001 167.706 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -66.46 24.25 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 126.436 1.895 . . . . 10.0 113.899 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.424 ' H ' ' C ' ' A' ' 61' ' ' ASP . 0.5 OUTLIER -149.84 14.01 0.82 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 128.603 2.761 . . . . 10.0 111.492 -173.633 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.0 m -153.03 156.43 38.78 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 120.027 -1.671 . . . . 10.0 112.379 175.397 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -145.45 94.79 2.56 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.811 1.245 . . . . 10.0 109.55 -168.121 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.97 167.12 4.03 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.812 0.845 . . . . 10.0 111.926 168.913 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -85.32 144.21 40.38 Favored Pre-proline 0 CA--C 1.546 0.809 0 O-C-N 121.035 -1.041 . . . . 10.0 111.976 -168.802 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -72.49 66.26 3.7 Favored 'Trans proline' 0 C--N 1.356 0.938 1 C-N-CA 125.772 4.315 . . . . 10.0 112.458 -173.45 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 177.35 -20.18 0.04 OUTLIER Glycine 0 CA--C 1.533 1.2 0 C-N-CA 126.396 1.951 . . . . 10.0 113.486 179.912 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 26.6 mt -57.84 -35.98 53.66 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-N 119.695 1.747 . . . . 10.0 112.313 -178.285 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 62.1 t -64.92 -57.95 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.203 1.001 . . . . 10.0 110.0 173.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -53.31 -45.33 68.94 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 126.358 1.863 . . . . 10.0 110.9 -178.47 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -63.86 -34.39 77.83 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.983 0.913 . . . . 10.0 111.644 175.139 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.454 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . . . -70.04 -43.0 72.16 Favored 'General case' 0 C--N 1.342 0.261 0 CA-C-N 119.529 1.059 . . . . 10.0 111.685 178.837 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.422 HG12 ' CE2' ' A' ' 79' ' ' TYR . 2.1 t -72.0 -40.39 67.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-O 119.514 -0.279 . . . . 10.0 111.0 177.699 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -58.85 -37.17 75.88 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.636 1.575 . . . . 10.0 112.319 171.685 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.26 -42.85 99.19 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.192 -0.943 . . . . 10.0 111.911 170.184 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.01 -42.35 99.81 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.005 0.82 . . . . 10.0 112.554 172.232 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.422 ' CE2' HG12 ' A' ' 75' ' ' VAL . 42.7 m-85 -62.39 -43.12 99.58 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.282 0.946 . . . . 10.0 111.851 177.894 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 28.9 mtt85 -71.12 -39.34 72.09 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 119.206 0.912 . . . . 10.0 112.649 173.845 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.3 t -65.86 -24.57 66.9 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 118.036 -0.983 . . . . 10.0 113.056 175.892 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 45.5 tp -77.95 -47.13 19.31 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 124.094 0.958 . . . . 10.0 111.347 172.017 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -66.26 -41.17 90.29 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 118.218 0.463 . . . . 10.0 111.071 179.737 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.5 t -69.68 -18.05 63.53 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 113.656 0.984 . . . . 10.0 113.656 173.66 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -81.33 -42.42 20.58 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.444 1.02 . . . . 10.0 111.297 168.387 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.5 mt -69.07 -22.67 64.0 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 118.529 -0.748 . . . . 10.0 112.62 175.697 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -48.96 -35.84 16.04 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.015 0.926 . . . . 10.0 110.585 166.533 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -71.85 -4.12 57.55 Favored Glycine 0 CA--C 1.538 1.486 0 N-CA-C 114.998 0.759 . . . . 10.0 114.998 177.125 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -136.89 -0.2 2.34 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.543 1.937 . . . . 10.0 113.629 -173.312 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 -139.18 -42.36 0.46 Allowed 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.293 1.437 . . . . 10.0 112.994 -176.79 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 . . . . . 0 C--O 1.252 1.19 0 O-C-N 125.268 1.605 . . . . 10.0 112.187 -169.789 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 118.7 -0.667 . . . . 10.0 110.232 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.4 t 51.95 28.29 5.08 Favored 'General case' 0 CA--C 1.548 0.904 0 N-CA-C 116.317 1.969 . . . . 10.0 116.317 170.46 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 pp -65.66 175.84 1.73 Allowed 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.947 1.299 . . . . 10.0 112.693 171.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -110.05 -176.98 3.14 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.325 1.05 . . . . 10.0 112.802 -169.423 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -51.97 127.58 21.72 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.281 1.032 . . . . 10.0 109.615 177.075 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.2 mt -74.74 107.48 6.87 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.69 0.757 . . . . 10.0 110.292 -169.544 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.3 t -147.44 -178.25 6.14 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.87 2.068 . . . . 10.0 107.906 -172.252 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -63.52 29.6 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.955 1 C-N-CA 131.853 4.061 . . . . 10.0 114.327 -177.346 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.8 -61.22 0.02 OUTLIER Glycine 0 CA--C 1.528 0.859 0 C-N-CA 128.084 2.754 . . . . 10.0 109.299 172.577 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.09 -39.82 83.36 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 118.128 0.964 . . . . 10.0 112.545 176.545 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.7 mt -65.32 -39.91 93.04 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.489 -0.757 . . . . 10.0 112.181 177.662 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -70.12 -42.12 73.04 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.215 0.606 . . . . 10.0 111.405 175.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -57.14 -44.45 83.41 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.5 0.72 . . . . 10.0 110.926 172.792 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 75.1 mt -64.78 -44.03 96.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 124.244 1.018 . . . . 10.0 111.202 176.394 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.8 t -58.72 -42.98 89.97 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.387 0.54 . . . . 10.0 111.191 174.132 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.6 p -61.87 -42.85 99.56 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.957 0.903 . . . . 10.0 112.536 174.717 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -61.69 -42.59 99.15 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 124.765 1.226 . . . . 10.0 111.421 178.197 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.5 mt -70.19 -45.13 67.28 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 122.842 0.457 . . . . 10.0 111.584 178.07 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -59.75 -48.42 81.73 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.49 0.587 . . . . 10.0 111.593 175.719 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -62.39 -37.41 85.67 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 118.634 -0.698 . . . . 10.0 111.852 175.117 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.6 m -61.04 -44.11 97.88 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.622 1.101 . . . . 10.0 111.293 178.283 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.7 mt -65.55 -45.52 92.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-N 118.086 0.403 . . . . 10.0 110.848 174.461 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.1 t -57.4 -50.3 73.44 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 122.87 0.468 . . . . 10.0 112.173 177.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.51 -38.67 81.55 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 114.8 1.407 . . . . 10.0 114.8 171.913 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -64.15 -45.69 87.35 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 119.91 1.232 . . . . 10.0 110.973 175.098 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.8 mt -61.15 -53.0 55.03 Favored 'Isoleucine or valine' 0 C--N 1.342 0.25 0 C-N-CA 124.13 0.972 . . . . 10.0 109.848 177.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.65 -20.74 65.1 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.872 1.064 . . . . 10.0 113.872 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.6 mtmm -95.91 -0.06 51.34 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.078 0.951 . . . . 10.0 113.466 173.345 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -125.23 -27.88 3.45 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.475 1.287 . . . . 10.0 114.475 -178.162 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.7 p -144.43 153.64 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 125.903 1.681 . . . . 10.0 110.962 170.543 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 45.3 t -76.59 122.69 24.98 Favored 'General case' 0 N--CA 1.463 0.209 0 O-C-N 121.218 -0.926 . . . . 10.0 111.782 178.069 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.46 -24.78 5.4 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.215 1.406 . . . . 10.0 113.18 168.239 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.7 -12.67 61.7 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.856 1.058 . . . . 10.0 113.856 174.027 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -94.82 -10.84 30.18 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.1 1.36 . . . . 10.0 112.035 169.8 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 56.4 mt -94.36 125.85 46.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 125.39 1.476 . . . . 10.0 108.402 -177.534 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.1 t -69.0 -50.99 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 C-N-CA 124.49 1.116 . . . . 10.0 109.118 169.627 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -162.98 174.73 11.95 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.16 0.8 . . . . 10.0 113.16 170.588 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.4 pt -132.26 143.15 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 C-N-CA 125.833 1.653 . . . . 10.0 110.717 170.56 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -121.9 127.0 49.94 Favored 'General case' 0 N--CA 1.462 0.141 0 N-CA-C 108.139 -1.06 . . . . 10.0 108.139 169.708 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 59.7 mt -131.18 126.09 58.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 108.057 -1.09 . . . . 10.0 108.057 -178.534 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 52.9 m -119.67 117.87 29.42 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 125.111 1.364 . . . . 10.0 108.153 -179.633 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.6 t -115.56 122.04 68.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 N-CA-C 107.204 -1.406 . . . . 10.0 107.204 171.787 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.8 mt -117.81 139.26 51.33 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 125.207 1.403 . . . . 10.0 109.062 175.817 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.2 p -135.53 138.37 48.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 C-N-CA 124.274 1.029 . . . . 10.0 109.639 179.664 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -144.48 159.89 42.0 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.597 1.159 . . . . 10.0 110.935 179.41 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -137.05 105.37 5.73 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 106.983 -1.488 . . . . 10.0 106.983 173.861 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.4 t -131.14 84.63 2.2 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.223 1.409 . . . . 10.0 107.547 -174.568 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.2 t70 66.74 -31.43 0.16 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 127.379 2.272 . . . . 10.0 113.121 -166.802 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.44 160.31 40.28 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 127.737 2.415 . . . . 10.0 111.001 169.858 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 53.9 tp -84.82 129.25 34.84 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.828 2.051 . . . . 10.0 110.178 -174.164 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -133.4 147.6 51.77 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.96 1.304 . . . . 10.0 110.332 178.652 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 89.5 t -135.91 142.25 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 C-N-CA 125.625 1.57 . . . . 10.0 108.043 176.413 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -130.3 134.93 47.57 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 125.335 1.454 . . . . 10.0 107.851 176.757 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.0 mt -132.06 131.93 61.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 C-N-CA 123.149 0.58 . . . . 10.0 109.832 -179.636 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.7 m -131.75 137.83 48.36 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.639 1.176 . . . . 10.0 109.552 168.654 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.39 144.44 51.21 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.695 0.798 . . . . 10.0 110.975 175.918 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -129.23 138.71 51.84 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 126.351 1.86 . . . . 10.0 109.373 -177.063 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -123.07 121.28 35.65 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 126.158 1.783 . . . . 10.0 108.245 -173.903 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -114.08 102.76 10.47 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 108.197 -1.038 . . . . 10.0 108.197 174.359 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -82.88 151.97 25.78 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 125.508 1.523 . . . . 10.0 111.232 174.562 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -62.32 147.46 48.15 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.935 168.293 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -64.97 30.8 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 128.61 2.764 . . . . 10.0 113.401 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.1 tt -148.18 -8.37 0.4 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 128.119 2.568 . . . . 10.0 112.916 -169.316 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.03 154.85 47.0 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.643 1.11 . . . . 10.0 112.374 -178.14 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -136.47 94.69 3.04 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.942 1.697 . . . . 10.0 108.364 -174.44 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.68 -175.23 0.65 Allowed 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 125.813 1.645 . . . . 10.0 112.728 170.4 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.04 144.9 42.19 Favored Pre-proline 0 CA--C 1.546 0.809 0 O-C-N 120.64 -1.287 . . . . 10.0 109.693 -169.882 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -73.17 42.19 0.62 Allowed 'Trans proline' 0 CA--C 1.548 1.188 1 C-N-CA 125.658 4.239 . . . . 10.0 113.802 -176.822 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.1 13.9 0.02 OUTLIER Glycine 0 CA--C 1.539 1.546 0 C-N-CA 127.925 2.679 . . . . 10.0 113.552 176.328 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.7 tt -59.99 -36.54 67.79 Favored 'Isoleucine or valine' 0 C--N 1.349 0.57 0 CA-C-N 119.175 1.487 . . . . 10.0 113.555 -168.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.422 ' O ' HG23 ' A' ' 75' ' ' VAL . 7.9 p -86.02 -39.41 13.6 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.277 0 C-N-CA 124.46 1.104 . . . . 10.0 111.266 178.752 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.47 -47.01 73.45 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.872 1.269 . . . . 10.0 110.139 174.405 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.06 -36.88 85.46 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 118.187 -0.911 . . . . 10.0 112.575 171.093 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.46 -44.15 91.98 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 120.359 1.436 . . . . 10.0 112.05 176.777 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.437 HG12 ' CE2' ' A' ' 79' ' ' TYR . 2.1 t -72.19 -41.14 66.76 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 O-C-N 121.962 -0.461 . . . . 10.0 110.94 178.927 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -58.83 -40.28 83.73 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.262 1.025 . . . . 10.0 110.952 171.408 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.07 -37.35 86.85 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 120.744 -1.222 . . . . 10.0 112.377 171.522 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.3 -43.68 93.96 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.506 1.048 . . . . 10.0 112.14 170.366 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.437 ' CE2' HG12 ' A' ' 75' ' ' VAL . 52.8 m-85 -64.7 -43.09 94.6 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.333 0.969 . . . . 10.0 112.79 176.65 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 44.0 mtt180 -70.0 -32.73 71.07 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.706 0.802 . . . . 10.0 112.122 176.1 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 45.7 m -65.51 -43.26 90.63 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 118.952 -0.547 . . . . 10.0 110.517 169.601 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 39.4 tp -62.39 -47.12 85.56 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-O 118.353 -0.832 . . . . 10.0 112.478 179.236 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -65.63 -40.89 93.02 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.64 1.109 . . . . 10.0 111.502 177.022 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.3 m -63.21 -29.82 71.08 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.977 0.911 . . . . 10.0 112.74 175.203 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -81.11 -38.27 27.53 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.433 1.493 . . . . 10.0 112.621 175.846 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -64.19 -34.28 77.72 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.854 1.262 . . . . 10.0 111.889 170.127 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -60.02 -18.4 45.88 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.585 1.154 . . . . 10.0 111.724 168.561 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -97.91 14.8 62.47 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 120.974 -1.079 . . . . 10.0 112.987 175.771 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -150.38 -34.71 0.16 Allowed 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.419 1.266 . . . . 10.0 114.419 -170.845 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.8 mtm180 -120.02 -17.27 8.45 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 120.255 1.389 . . . . 10.0 114.707 174.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 . . . . . 0 C--O 1.254 1.323 0 CA-C-O 115.991 -1.957 . . . . 10.0 111.83 -169.616 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.446 ' HA ' ' HA ' ' A' ' 89' ' ' PHE . 25.8 ptm . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 118.937 -0.554 . . . . 10.0 110.993 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 t -166.06 38.38 0.05 Allowed 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 113.19 0.811 . . . . 10.0 113.19 -176.179 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.42 ' H ' HD23 ' A' ' 3' ' ' LEU . 2.4 pt? -125.72 -171.89 2.48 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.721 1.208 . . . . 10.0 113.708 -169.312 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -121.43 177.85 5.04 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 126.589 1.956 . . . . 10.0 110.74 -179.859 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -62.1 125.75 24.95 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 108.12 -1.067 . . . . 10.0 108.12 169.069 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 mp -74.79 113.38 12.01 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 108.93 -0.767 . . . . 10.0 108.93 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.8 t -144.09 171.85 13.7 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 126.05 1.74 . . . . 10.0 107.82 179.199 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.2 mp0 -50.48 -34.42 24.86 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 119.329 0.968 . . . . 10.0 113.479 -170.525 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.86 -63.23 5.27 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 123.93 0.776 . . . . 10.0 113.603 172.365 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -65.23 -32.86 74.74 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.605 1.162 . . . . 10.0 111.745 -178.728 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 93.1 mt -70.08 -39.69 75.45 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.005 0.922 . . . . 10.0 112.5 173.148 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -65.69 -38.33 88.96 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 119.528 1.058 . . . . 10.0 111.615 170.802 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.57 -43.64 84.71 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 118.852 0.751 . . . . 10.0 112.068 172.204 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.6 mt -65.42 -48.39 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-N 118.471 0.578 . . . . 10.0 110.606 174.524 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.5 m -58.91 -39.89 82.86 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.181 0.9 . . . . 10.0 112.427 178.167 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.2 t -65.97 -43.57 87.49 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.867 1.267 . . . . 10.0 112.167 172.857 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -57.77 -41.67 82.48 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.033 0.833 . . . . 10.0 111.987 173.566 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.6 mt -66.97 -45.15 78.57 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.283 0.633 . . . . 10.0 111.871 176.334 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 -57.36 -49.62 75.58 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.075 0.55 . . . . 10.0 111.225 174.471 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -61.23 -40.0 92.41 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.099 0.559 . . . . 10.0 111.909 176.275 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 95.8 m -61.0 -44.64 97.12 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.321 0.649 . . . . 10.0 111.252 179.473 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.414 HG23 ' HB1' ' A' ' 74' ' ' ALA . 46.0 mt -71.08 -41.0 76.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-O 118.077 -0.963 . . . . 10.0 111.102 177.439 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.2 t -54.96 -51.63 65.53 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 118.601 0.637 . . . . 10.0 111.382 173.255 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.73 -39.26 76.86 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 115.374 1.62 . . . . 10.0 115.374 171.69 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -66.87 -44.49 80.82 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.766 1.166 . . . . 10.0 110.546 179.38 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 85.8 mt -62.32 -50.71 78.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 123.535 0.734 . . . . 10.0 109.978 175.93 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.8 mp -61.27 -24.29 66.29 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.641 0.978 . . . . 10.0 113.641 177.802 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -97.69 8.28 44.95 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.221 1.009 . . . . 10.0 113.605 173.852 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.419 HH11 HG13 ' A' ' 70' ' ' ILE . 51.0 mtt180 -119.69 -34.1 3.85 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.87 1.433 . . . . 10.0 114.87 168.172 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.1 t -136.79 139.21 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.683 1.193 . . . . 10.0 109.377 -177.79 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.0 t -62.99 120.55 11.6 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 121.734 0.778 . . . . 10.0 111.434 179.641 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.71 -25.17 10.26 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.209 1.404 . . . . 10.0 113.048 169.589 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -75.38 -2.13 27.05 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.796 0.838 . . . . 10.0 112.753 175.54 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -121.32 8.92 10.29 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.171 1.388 . . . . 10.0 111.485 169.024 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.0 mt -106.38 128.14 61.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 C-N-CA 125.858 1.663 . . . . 10.0 107.894 173.845 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.4 t -68.89 -52.97 29.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 123.261 0.624 . . . . 10.0 109.323 171.079 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -165.82 177.07 7.43 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.552 0.741 . . . . 10.0 112.792 171.296 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.57 143.0 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 C-N-CA 125.201 1.401 . . . . 10.0 109.753 168.437 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -130.37 120.02 23.64 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 106.981 -1.488 . . . . 10.0 106.981 170.029 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.3 mm -106.93 113.58 43.79 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.244 0 N-CA-C 107.149 -1.426 . . . . 10.0 107.149 175.759 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 45.3 m -87.08 115.76 24.69 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 106.34 -1.726 . . . . 10.0 106.34 179.794 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -115.91 118.5 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 C-N-CA 125.989 1.716 . . . . 10.0 110.691 -177.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 71.0 mt -117.84 139.14 51.52 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 124.627 1.171 . . . . 10.0 109.722 171.099 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.4 p -139.81 131.9 34.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 C-N-CA 123.128 0.571 . . . . 10.0 109.887 174.2 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -146.29 159.09 43.82 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.544 1.537 . . . . 10.0 110.632 -168.365 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -146.34 105.47 3.9 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 108.76 -0.83 . . . . 10.0 108.76 176.409 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 57.1 m -131.84 94.59 3.53 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 120.709 -1.244 . . . . 10.0 110.058 174.087 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.5 t70 63.75 -30.73 0.1 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 127.01 2.124 . . . . 10.0 114.055 -169.307 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.71 160.18 39.62 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 128.398 2.679 . . . . 10.0 110.528 172.208 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 47.6 tp -85.0 129.22 34.83 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.419 1.888 . . . . 10.0 109.941 -176.484 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -122.86 136.44 54.87 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.445 1.098 . . . . 10.0 109.129 173.393 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 10.5 p -131.12 142.43 43.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 C-N-CA 125.268 1.427 . . . . 10.0 107.161 168.748 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -127.01 129.46 48.12 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 108.016 -1.105 . . . . 10.0 108.016 169.809 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.8 mt -124.51 109.2 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.83 0 N-CA-C 103.876 -2.638 . . . . 10.0 103.876 168.521 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.7 m -119.64 135.51 54.78 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 104.994 -2.225 . . . . 10.0 104.994 178.902 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -129.95 138.19 50.73 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 114.079 1.14 . . . . 10.0 114.079 -166.716 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -123.57 121.84 36.65 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.773 1.629 . . . . 10.0 107.977 -176.181 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.1 tt -127.8 113.15 15.58 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 107.587 -1.264 . . . . 10.0 107.587 -174.714 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -109.44 103.63 12.57 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.495 0.718 . . . . 10.0 109.607 -170.524 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.1 mt -82.34 151.9 26.5 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.245 1.418 . . . . 10.0 112.553 179.883 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -61.7 138.4 58.31 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.613 0.765 . . . . 10.0 109.958 168.599 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.1 pm0 -65.0 -8.57 16.5 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 115.026 1.491 . . . . 10.0 115.026 -178.391 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.26 0.77 43.83 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.418 1.487 . . . . 10.0 112.229 170.288 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.0 t -89.84 171.24 9.75 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.046 1.338 . . . . 10.0 112.85 178.16 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -159.05 118.17 2.99 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.518 1.927 . . . . 10.0 107.806 177.573 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -138.46 179.68 6.32 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.218 1.807 . . . . 10.0 111.293 174.892 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -85.18 138.45 36.71 Favored Pre-proline 0 CA--C 1.546 0.822 0 O-C-N 120.904 -1.122 . . . . 10.0 112.555 -166.331 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -74.38 49.0 1.95 Allowed 'Trans proline' 0 CA--C 1.547 1.131 1 C-N-CA 126.26 4.64 . . . . 10.0 114.009 -169.379 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.03 -1.51 0.03 OUTLIER Glycine 0 CA--C 1.536 1.359 0 C-N-CA 125.573 1.558 . . . . 10.0 115.049 178.677 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.419 HG13 HH11 ' A' ' 29' ' ' ARG . 6.1 tt -55.57 -22.65 12.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-N 119.544 1.672 . . . . 10.0 115.485 -171.77 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.405 ' O ' HG23 ' A' ' 75' ' ' VAL . 13.6 p -81.71 -27.49 9.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 C-N-CA 125.05 1.34 . . . . 10.0 113.736 175.23 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -60.21 -43.13 96.21 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 120.218 1.372 . . . . 10.0 110.284 178.448 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -64.02 -30.8 71.85 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.16 0.984 . . . . 10.0 112.302 171.678 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.414 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -67.47 -44.67 78.01 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-N 119.209 0.913 . . . . 10.0 111.421 173.732 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.467 HG12 ' CE2' ' A' ' 79' ' ' TYR . 1.6 t -68.07 -41.51 84.4 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 O-C-N 122.203 -0.311 . . . . 10.0 110.961 177.7 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -58.77 -40.82 85.03 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.604 1.162 . . . . 10.0 111.121 174.062 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.32 -37.94 87.54 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.623 -0.673 . . . . 10.0 112.505 173.032 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.15 -40.21 78.34 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-N 118.863 0.756 . . . . 10.0 112.933 171.812 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.467 ' CE2' HG12 ' A' ' 75' ' ' VAL . 47.3 m-85 -61.63 -43.0 99.67 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.374 0.988 . . . . 10.0 112.029 174.074 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 73.2 mtt-85 -70.48 -35.42 73.26 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.438 -0.788 . . . . 10.0 112.234 175.007 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 46.9 m -63.15 -40.59 98.0 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.907 0.483 . . . . 10.0 111.194 172.155 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 31.9 tp -64.15 -47.04 81.43 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 123.687 0.795 . . . . 10.0 111.449 173.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -63.12 -41.27 99.3 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.467 0.576 . . . . 10.0 111.117 178.534 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.1 t -67.76 -31.94 72.2 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 112.949 0.722 . . . . 10.0 112.949 174.774 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -65.29 -42.14 93.44 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.129 -0.982 . . . . 10.0 111.545 170.143 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -67.48 -30.07 69.67 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-O 117.406 -1.283 . . . . 10.0 112.345 168.46 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -61.66 -21.78 64.72 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 121.435 1.925 . . . . 10.0 111.496 169.037 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -76.25 -8.73 85.6 Favored Glycine 0 CA--C 1.54 1.628 0 O-C-N 120.738 -1.226 . . . . 10.0 113.771 168.851 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.446 ' HA ' ' HA ' ' A' ' 1' ' ' MET . 20.9 m-30 -126.68 -40.42 1.92 Allowed 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 115.445 1.646 . . . . 10.0 115.445 -168.919 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 80.4 mtt-85 -81.17 -35.52 31.33 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.259 1.024 . . . . 10.0 110.871 177.896 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 . . . . . 0 C--O 1.26 1.614 0 O-C-N 124.641 1.213 . . . . 10.0 110.034 164.295 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.6 ptt? . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 117.882 -1.056 . . . . 10.0 110.082 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.7 p 125.3 162.94 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 131.259 3.823 . . . . 10.0 111.222 176.65 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.702 ' H ' HD23 ' A' ' 3' ' ' LEU . 2.0 pt? -71.04 165.93 22.45 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.628 1.571 . . . . 10.0 113.343 179.101 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -76.85 170.93 15.58 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.861 1.264 . . . . 10.0 111.721 176.195 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -66.72 110.19 3.15 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 107.104 -1.443 . . . . 10.0 107.104 168.435 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 80.1 mt -74.6 121.44 21.6 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 123.59 0.556 . . . . 10.0 111.119 -168.612 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.9 t -141.29 -168.53 2.65 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.542 1.537 . . . . 10.0 109.98 173.183 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -48.02 -39.05 18.62 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.464 1.505 . . . . 10.0 113.329 -173.866 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.11 -47.5 64.48 Favored Glycine 0 CA--C 1.53 1.025 0 C-N-CA 123.55 0.595 . . . . 10.0 113.385 178.387 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.48 -39.98 85.25 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 118.107 0.954 . . . . 10.0 110.905 178.749 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mp -65.47 -42.65 92.03 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.106 0.962 . . . . 10.0 111.847 175.145 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -61.13 -46.17 91.67 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 119.058 0.844 . . . . 10.0 111.361 170.574 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -60.58 -44.01 96.68 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.883 0.873 . . . . 10.0 111.91 179.004 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.5 mt -64.89 -42.94 96.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-N 118.507 0.594 . . . . 10.0 110.466 174.411 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.6 p -58.71 -40.83 84.79 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 119.02 0.827 . . . . 10.0 111.981 174.824 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.0 t -68.63 -42.11 78.49 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.778 1.231 . . . . 10.0 111.515 176.941 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -60.17 -42.77 95.67 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 118.718 0.69 . . . . 10.0 111.926 178.929 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -76.89 -37.47 55.41 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 118.084 -0.96 . . . . 10.0 113.181 175.218 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -58.55 -44.34 89.63 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 120.081 1.309 . . . . 10.0 111.924 173.791 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -65.09 -41.73 94.73 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 118.648 -0.691 . . . . 10.0 111.531 171.819 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.5 m -60.91 -47.37 86.72 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.091 0.86 . . . . 10.0 111.155 -179.185 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.2 mt -65.16 -43.38 95.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-N 118.699 0.681 . . . . 10.0 110.463 175.749 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.8 m -57.3 -49.06 77.3 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.313 0.506 . . . . 10.0 111.469 179.365 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -65.25 -38.71 91.2 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.287 0.635 . . . . 10.0 112.031 176.143 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -70.52 -35.39 73.15 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 118.802 0.728 . . . . 10.0 111.466 -179.909 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.5 mt -63.44 -53.07 50.07 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-O 118.1 -0.953 . . . . 10.0 108.74 169.51 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -59.15 -34.54 72.2 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.55 1.068 . . . . 10.0 113.74 -179.447 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.73 -7.38 58.58 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.478 0.918 . . . . 10.0 113.478 174.67 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -113.77 -27.1 7.91 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 116.118 1.896 . . . . 10.0 116.118 176.73 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.06 137.69 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 126.749 2.02 . . . . 10.0 109.282 174.709 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.2 t -75.58 136.3 40.52 Favored 'General case' 0 N--CA 1.464 0.226 0 O-C-N 121.208 -0.932 . . . . 10.0 111.327 -177.043 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.92 -24.85 3.93 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.578 1.151 . . . . 10.0 113.395 169.208 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -64.08 -20.3 65.85 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.823 1.192 . . . . 10.0 113.747 171.745 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -93.09 -11.81 32.02 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.933 1.693 . . . . 10.0 112.125 176.594 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.0 mm -110.28 128.22 66.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 127.27 2.228 . . . . 10.0 110.08 -168.204 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.4 t -70.04 -52.67 28.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 123.819 0.847 . . . . 10.0 110.387 169.578 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -164.3 177.22 8.46 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.46 0.704 . . . . 10.0 112.434 178.844 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 21.2 pt -133.97 143.09 39.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 125.444 1.498 . . . . 10.0 111.818 172.403 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -116.49 118.37 32.48 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 125.052 1.341 . . . . 10.0 108.741 168.703 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.2 mt -131.15 124.57 55.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 N-CA-C 108.882 -0.784 . . . . 10.0 108.882 177.036 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 79.9 m -119.85 128.77 53.99 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 125.497 1.519 . . . . 10.0 109.155 174.555 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.0 t -115.52 124.81 72.39 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 N-CA-C 106.318 -1.734 . . . . 10.0 106.318 168.871 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -117.66 138.94 51.64 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 125.035 1.334 . . . . 10.0 108.899 178.82 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.4 p -139.67 131.14 33.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 C-N-CA 124.438 1.095 . . . . 10.0 108.523 -179.168 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -149.62 160.06 43.81 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.792 0.837 . . . . 10.0 111.301 -177.937 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -139.26 102.8 4.59 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 107.796 -1.186 . . . . 10.0 107.796 -175.678 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.2 t -131.17 80.88 1.96 Allowed 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.119 1.368 . . . . 10.0 108.166 -174.129 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.0 t70 64.64 -37.5 0.21 Allowed 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 127.656 2.382 . . . . 10.0 113.054 -166.854 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -116.2 152.21 34.19 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 127.496 2.318 . . . . 10.0 109.711 169.763 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 54.4 tp -85.3 129.04 34.89 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.777 1.231 . . . . 10.0 109.302 176.179 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -128.43 147.11 50.64 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.68 1.192 . . . . 10.0 110.183 -177.942 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 74.4 t -135.73 141.75 41.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 C-N-CA 125.704 1.602 . . . . 10.0 107.239 173.821 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -129.14 141.84 51.06 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 125.538 1.535 . . . . 10.0 108.355 170.098 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 37.6 mt -132.18 123.11 49.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 N-CA-C 108.099 -1.075 . . . . 10.0 108.099 171.496 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.1 t -126.86 122.57 35.04 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 125.022 1.329 . . . . 10.0 108.381 179.483 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.19 146.59 52.39 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.118 0.967 . . . . 10.0 110.361 -177.734 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -145.85 147.62 32.0 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 125.386 1.474 . . . . 10.0 109.311 171.919 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.9 pp -127.88 143.96 51.1 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-O 122.33 1.062 . . . . 10.0 111.818 172.206 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -106.87 109.58 21.52 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 106.936 -1.505 . . . . 10.0 106.936 -177.879 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.0 mt -82.16 151.71 26.8 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 124.183 0.993 . . . . 10.0 109.984 176.68 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -64.27 147.25 52.86 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 120.396 -0.521 . . . . 10.0 109.657 167.487 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -66.81 14.82 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.191 1.397 . . . . 10.0 114.62 -177.576 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 34.9 tp -131.2 -3.83 3.9 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 128.501 2.72 . . . . 10.0 112.092 178.535 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 53.9 m -95.5 152.49 18.38 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.822 1.249 . . . . 10.0 112.118 -178.355 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -142.11 94.4 2.66 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 123.034 1.397 . . . . 10.0 110.578 -179.503 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.22 -176.6 4.02 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.6 1.56 . . . . 10.0 112.066 172.686 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -85.54 145.54 42.28 Favored Pre-proline 0 CA--C 1.547 0.836 0 O-C-N 121.18 -0.95 . . . . 10.0 112.003 -171.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -74.41 45.84 1.3 Allowed 'Trans proline' 0 CA--C 1.548 1.22 1 C-N-CA 125.825 4.35 . . . . 10.0 113.961 -174.707 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.1 14.98 0.02 OUTLIER Glycine 0 CA--C 1.539 1.547 0 C-N-CA 126.991 2.234 . . . . 10.0 114.255 176.127 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 8.0 tt -69.6 -18.22 22.08 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-N 118.469 1.134 . . . . 10.0 113.654 -170.574 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 79.4 t -78.92 -54.48 11.71 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.292 0 C-N-CA 124.882 1.273 . . . . 10.0 109.245 169.813 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -52.89 -44.18 66.7 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 126.222 1.809 . . . . 10.0 111.559 -176.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -64.04 -33.27 75.36 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.702 0.631 . . . . 10.0 112.702 174.078 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.33 -40.01 67.73 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 122.067 -0.395 . . . . 10.0 111.344 175.925 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.434 HG12 ' CE2' ' A' ' 79' ' ' TYR . 1.7 t -70.55 -41.15 77.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-O 118.6 -0.714 . . . . 10.0 111.005 177.915 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -58.7 -39.57 81.15 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.748 1.158 . . . . 10.0 111.321 170.297 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.89 -37.79 88.32 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.905 0.775 . . . . 10.0 112.039 173.81 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.02 -44.29 85.12 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.326 0.966 . . . . 10.0 113.174 170.663 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.434 ' CE2' HG12 ' A' ' 75' ' ' VAL . 51.1 m-85 -60.92 -43.1 99.07 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.332 0.969 . . . . 10.0 111.688 175.887 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.5 mtt-85 -72.4 -32.83 66.7 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.993 0.738 . . . . 10.0 112.993 176.425 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.2 t -63.09 -43.66 97.9 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.733 0.813 . . . . 10.0 110.75 170.024 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 45.2 tp -61.0 -47.1 88.01 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 118.82 0.736 . . . . 10.0 111.823 174.843 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -65.26 -41.36 94.34 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.285 0.948 . . . . 10.0 111.47 177.472 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.1 t -68.11 -19.22 64.82 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.545 0.943 . . . . 10.0 113.545 175.381 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -81.02 -40.97 23.43 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.46 1.504 . . . . 10.0 111.218 172.562 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -65.91 -30.09 70.62 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 119.455 1.025 . . . . 10.0 111.828 168.532 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -61.38 -13.19 17.91 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 119.418 1.008 . . . . 10.0 112.232 168.277 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.96 7.22 58.82 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 124.814 1.197 . . . . 10.0 114.001 169.523 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -137.31 -16.35 1.4 Allowed 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 115.33 1.604 . . . . 10.0 115.33 -177.073 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -125.54 -29.35 3.2 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.228 1.196 . . . . 10.0 114.228 -172.554 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 . . . . . 0 C--O 1.252 1.214 0 CA-C-O 117.069 -1.443 . . . . 10.0 110.394 167.505 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.481 1.108 0 N-CA-C 109.13 -0.693 . . . . 10.0 109.13 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -160.01 123.1 3.49 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.068 0.947 . . . . 10.0 109.887 -173.794 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.14 161.25 13.78 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.526 1.13 . . . . 10.0 112.183 177.243 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.7 mtt85 -153.89 176.76 11.79 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.67 1.188 . . . . 10.0 112.786 -168.855 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.7 mmmt -54.69 111.0 0.72 Allowed 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.801 1.641 . . . . 10.0 108.783 168.027 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.0 mt -74.8 123.37 24.88 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 120.767 0.318 . . . . 10.0 110.986 -171.519 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.6 t -153.16 -169.19 3.25 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.915 1.286 . . . . 10.0 110.392 -179.455 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -59.53 24.51 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 130.666 3.586 . . . . 10.0 115.563 -179.051 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -144.93 -50.91 0.03 OUTLIER Glycine 0 CA--C 1.527 0.815 0 C-N-CA 126.143 1.83 . . . . 10.0 110.743 173.337 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -65.29 -38.48 90.36 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.596 -0.944 . . . . 10.0 112.387 175.739 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.9 mt -69.26 -35.49 76.15 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.695 -0.628 . . . . 10.0 111.607 173.038 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -64.56 -45.3 87.68 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.334 0.654 . . . . 10.0 110.646 173.738 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -59.85 -37.88 80.51 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.815 0.846 . . . . 10.0 112.505 172.893 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.4 mt -64.58 -40.27 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 O-C-N 120.822 -1.174 . . . . 10.0 110.418 172.636 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.3 p -60.3 -38.9 85.06 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.953 0.797 . . . . 10.0 112.327 171.354 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.03 -43.97 93.97 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.334 1.454 . . . . 10.0 111.509 174.815 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -60.98 -42.68 98.85 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.021 0.928 . . . . 10.0 111.52 176.041 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.8 mt -71.26 -46.72 60.34 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.042 0.537 . . . . 10.0 111.83 178.634 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -58.3 -47.97 81.99 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 118.598 0.635 . . . . 10.0 111.401 175.035 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -60.64 -40.85 93.5 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 119.018 -0.515 . . . . 10.0 111.447 175.111 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.6 m -61.07 -46.69 89.63 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 118.745 0.702 . . . . 10.0 111.611 179.409 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.461 HG23 ' HB1' ' A' ' 74' ' ' ALA . 47.4 mt -63.52 -45.85 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-N 118.597 0.635 . . . . 10.0 110.384 174.223 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.2 t -58.71 -50.5 73.65 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.428 0.558 . . . . 10.0 112.112 -179.327 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -63.51 -38.82 92.6 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-O 118.047 -0.978 . . . . 10.0 111.763 174.303 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -62.22 -45.7 92.18 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 120.311 1.414 . . . . 10.0 111.057 175.754 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.5 mt -59.94 -52.95 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-O 118.118 -0.944 . . . . 10.0 108.854 177.849 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.1 mp -60.74 -27.94 68.31 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.495 1.043 . . . . 10.0 113.555 178.066 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -79.79 -8.82 59.49 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.948 1.299 . . . . 10.0 114.092 172.615 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.72 -26.26 4.52 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 114.468 1.284 . . . . 10.0 114.468 -177.205 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.4 p -151.34 142.19 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 127.284 2.234 . . . . 10.0 109.389 -179.257 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.9 t -80.31 136.51 36.43 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 115.13 1.53 . . . . 10.0 115.13 -169.022 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.95 -24.62 3.8 Favored 'General case' 0 CA--C 1.551 0.998 0 O-C-N 120.758 -1.214 . . . . 10.0 112.193 165.679 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -80.44 -10.74 59.74 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 115.198 1.555 . . . . 10.0 115.198 177.768 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -113.62 -3.48 13.6 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.623 1.169 . . . . 10.0 111.67 173.387 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 75.7 mt -95.79 128.15 47.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 C-N-CA 127.01 2.124 . . . . 10.0 109.675 175.942 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.4 t -72.78 -49.98 36.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 124.294 1.038 . . . . 10.0 109.569 168.365 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -164.09 176.48 9.25 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 123.347 0.659 . . . . 10.0 112.417 176.411 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 15.5 pt -137.28 134.13 47.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 125.458 1.503 . . . . 10.0 111.003 171.915 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -103.32 122.77 45.5 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 107.491 -1.3 . . . . 10.0 107.491 168.215 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 85.0 mt -131.21 121.21 48.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 N-CA-C 109.02 -0.733 . . . . 10.0 109.02 174.573 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 85.4 m -119.73 117.83 29.27 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 125.645 1.578 . . . . 10.0 108.298 178.052 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.8 t -115.57 126.13 73.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 N-CA-C 107.52 -1.289 . . . . 10.0 107.52 172.256 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 73.9 mt -117.79 139.08 51.58 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 124.273 1.029 . . . . 10.0 108.947 178.415 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 38.6 t -139.61 136.21 39.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 C-N-CA 124.587 1.155 . . . . 10.0 108.91 -177.308 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -147.03 159.78 43.17 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.647 1.179 . . . . 10.0 110.426 -179.041 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -134.51 103.92 5.88 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.313 0.645 . . . . 10.0 110.054 169.706 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.0 m -131.27 81.02 1.96 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.243 1.417 . . . . 10.0 108.046 -179.047 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.6 t70 64.92 -43.9 0.33 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 127.784 2.434 . . . . 10.0 113.168 -168.143 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -100.4 159.7 14.93 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.567 1.947 . . . . 10.0 110.997 167.585 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.5 tp -85.23 123.86 31.21 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 107.045 -1.465 . . . . 10.0 107.045 168.236 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -123.13 136.85 54.96 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 123.091 0.556 . . . . 10.0 110.094 -179.037 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 97.6 t -135.99 146.48 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 C-N-CA 125.106 1.362 . . . . 10.0 108.743 177.011 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -137.11 144.43 43.05 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 125.517 1.527 . . . . 10.0 109.008 169.555 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 42.5 mt -132.05 128.1 58.86 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.13 0 C-N-CA 124.5 1.12 . . . . 10.0 107.985 -178.522 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.4 m -131.94 131.77 42.94 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 123.676 0.79 . . . . 10.0 109.567 168.145 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.15 143.86 50.94 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.699 0.8 . . . . 10.0 109.444 172.316 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -136.27 143.76 44.42 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.975 1.31 . . . . 10.0 109.32 173.317 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 59.1 tp -127.99 107.85 10.18 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.61 1.564 . . . . 10.0 111.518 -166.599 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -96.14 107.61 19.96 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.497 -0.557 . . . . 10.0 109.497 -178.015 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -82.17 152.11 26.62 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.138 1.375 . . . . 10.0 111.643 172.769 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.91 147.06 24.68 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.931 167.415 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -64.98 -4.07 4.19 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.912 1.449 . . . . 10.0 114.912 -177.483 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 76.8 mt -113.31 8.78 18.14 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 125.816 1.646 . . . . 10.0 112.797 173.854 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.1 m -130.13 146.39 51.77 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.971 1.308 . . . . 10.0 112.593 -171.418 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -147.26 94.47 2.4 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 123.016 1.389 . . . . 10.0 112.329 -169.284 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.97 -177.2 3.77 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.343 1.457 . . . . 10.0 112.606 168.943 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.26 146.18 44.42 Favored Pre-proline 0 CA--C 1.547 0.844 0 O-C-N 120.632 -1.293 . . . . 10.0 112.421 -169.252 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -73.17 54.63 2.77 Favored 'Trans proline' 0 CA--C 1.545 1.056 1 C-N-CA 125.805 4.337 . . . . 10.0 112.757 178.823 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.05 -12.69 0.03 OUTLIER Glycine 0 CA--C 1.535 1.323 0 C-N-CA 125.531 1.539 . . . . 10.0 114.87 -177.846 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.0 tt -57.46 -24.42 21.8 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 N-CA-C 115.114 1.524 . . . . 10.0 115.114 -173.841 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 65.1 t -76.25 -50.44 22.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 125.539 1.536 . . . . 10.0 111.144 172.787 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -56.9 -36.08 69.74 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.509 1.124 . . . . 10.0 111.313 173.892 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -63.58 -41.51 98.36 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 122.926 0.491 . . . . 10.0 110.465 172.004 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.461 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -70.47 -41.46 72.73 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 119.038 0.835 . . . . 10.0 112.218 179.394 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 43.2 t -67.44 -50.88 57.84 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 125.161 1.385 . . . . 10.0 110.458 -179.028 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -58.92 -38.28 78.58 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.631 1.105 . . . . 10.0 111.834 171.056 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.01 -37.36 86.89 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 120.267 1.394 . . . . 10.0 112.411 175.311 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.1 -39.33 93.01 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.596 -0.69 . . . . 10.0 111.727 169.163 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -63.95 -43.04 97.04 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 117.788 -1.101 . . . . 10.0 113.312 173.112 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.1 mmt180 -66.51 -33.05 74.81 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 120.743 1.611 . . . . 10.0 112.236 174.246 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 25.1 m -65.72 -42.75 90.7 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.232 0.613 . . . . 10.0 111.055 172.258 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 23.2 tp -67.21 -45.27 77.36 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.152 0.981 . . . . 10.0 112.85 174.209 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -58.9 -31.46 68.64 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.321 1.848 . . . . 10.0 110.899 176.325 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.7 m -76.87 -45.52 27.97 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.4 1.08 . . . . 10.0 111.886 169.236 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -58.7 -40.92 85.03 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.012 1.325 . . . . 10.0 113.744 -173.525 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -65.98 -4.74 7.62 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 114.561 1.319 . . . . 10.0 114.561 176.295 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -47.57 -45.6 27.31 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 120.363 1.438 . . . . 10.0 110.2 168.292 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -74.21 5.53 26.56 Favored Glycine 0 CA--C 1.538 1.517 0 N-CA-C 115.078 0.791 . . . . 10.0 115.078 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -126.12 -2.93 7.0 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.794 1.638 . . . . 10.0 113.141 177.926 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -141.64 -38.38 0.4 Allowed 'General case' 0 N--CA 1.477 0.905 0 CA-C-O 117.775 -1.107 . . . . 10.0 113.704 177.664 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 . . . . . 0 C--O 1.254 1.341 0 CA-C-O 116.188 -1.863 . . . . 10.0 112.163 -169.642 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.481 1.086 0 CA-C-O 118.317 -0.849 . . . . 10.0 108.98 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.0 t -166.64 138.79 3.6 Favored 'General case' 0 C--O 1.231 0.111 0 C-N-CA 125.344 1.457 . . . . 10.0 108.624 169.01 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.28 -175.77 2.0 Allowed 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 107.911 -1.144 . . . . 10.0 107.911 162.495 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -120.77 -167.73 1.53 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.411 1.084 . . . . 10.0 110.269 177.675 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -56.52 126.54 27.0 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.774 0.83 . . . . 10.0 109.013 171.951 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 40.2 mt -74.75 105.97 6.07 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 121.635 0.731 . . . . 10.0 110.024 -172.382 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.0 t -145.34 -170.58 3.47 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 126.133 1.773 . . . . 10.0 109.841 -175.421 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -63.79 33.18 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 129.878 3.271 . . . . 10.0 114.705 -178.126 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -145.17 -55.72 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 C-N-CA 126.676 2.084 . . . . 10.0 110.347 169.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.93 -43.36 99.0 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 117.896 0.848 . . . . 10.0 111.734 174.194 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.5 mt -69.25 -35.41 76.09 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.313 0.645 . . . . 10.0 111.921 176.717 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -64.74 -46.16 83.41 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 122.946 0.498 . . . . 10.0 110.521 174.94 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -63.24 -37.97 89.32 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.49 0.716 . . . . 10.0 112.312 174.241 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.6 mt -64.38 -41.5 92.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 O-C-N 120.932 -1.105 . . . . 10.0 110.128 173.921 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.2 p -58.93 -41.87 88.36 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.873 0.76 . . . . 10.0 112.025 171.098 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -44.02 97.57 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.819 1.247 . . . . 10.0 111.396 175.862 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -64.52 -42.55 95.7 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.08 0.952 . . . . 10.0 112.009 177.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.2 mt -67.28 -47.92 69.22 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.929 -0.482 . . . . 10.0 111.077 176.798 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.9 t-160 -59.92 -43.73 94.73 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.491 0.716 . . . . 10.0 111.63 177.436 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -60.78 -45.56 93.89 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 118.732 -0.651 . . . . 10.0 111.932 171.602 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.9 m -61.1 -46.77 89.25 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 118.736 0.698 . . . . 10.0 111.231 -175.106 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.433 HG23 ' HB1' ' A' ' 74' ' ' ALA . 52.5 mt -65.01 -44.18 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-N 117.862 0.301 . . . . 10.0 110.407 175.445 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 m -60.67 -50.54 73.1 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.41 0.684 . . . . 10.0 112.338 -178.936 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -61.01 -38.56 86.48 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-O 117.062 -1.447 . . . . 10.0 114.404 168.557 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -60.94 -45.8 93.25 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 121.629 2.013 . . . . 10.0 110.465 176.771 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 63.1 mt -61.74 -51.64 70.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-O 117.87 -1.062 . . . . 10.0 109.965 176.392 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.4 mp -63.94 -18.48 64.29 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 120.558 1.527 . . . . 10.0 114.078 178.514 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -95.57 4.6 53.0 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.333 1.453 . . . . 10.0 112.127 172.714 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -124.22 -30.87 3.39 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.554 1.542 . . . . 10.0 114.5 174.324 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.2 t -145.67 137.91 20.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 126.943 2.097 . . . . 10.0 108.308 -171.121 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 40.5 t -79.22 136.46 37.08 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 122.389 1.09 . . . . 10.0 113.782 -171.749 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.92 -24.66 3.79 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.214 1.006 . . . . 10.0 112.968 167.442 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -87.63 -3.88 58.96 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 115.348 1.61 . . . . 10.0 115.348 178.428 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -117.43 -12.18 10.45 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.734 1.214 . . . . 10.0 112.095 169.837 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.5 mt -78.34 128.05 38.46 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 C-N-CA 125.765 1.626 . . . . 10.0 109.552 169.646 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 38.4 t -74.94 -51.04 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 C-N-CA 124.897 1.279 . . . . 10.0 108.46 167.756 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -163.33 176.52 9.79 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.652 0.781 . . . . 10.0 113.061 170.129 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.0 pt -131.71 142.31 43.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 125.624 1.57 . . . . 10.0 110.003 169.845 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -122.61 112.14 17.63 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 107.969 -1.123 . . . . 10.0 107.969 179.824 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 73.3 mt -129.33 119.12 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 C-N-CA 123.891 0.876 . . . . 10.0 108.758 -175.851 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.6 m -119.65 117.59 28.7 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 125.261 1.424 . . . . 10.0 107.809 177.562 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.1 m -115.84 118.84 60.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 C-N-CA 126.317 1.847 . . . . 10.0 108.856 178.672 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 mp -117.77 139.02 51.65 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.549 1.14 . . . . 10.0 109.344 -179.914 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.3 p -139.73 139.53 37.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 C-N-CA 123.23 0.612 . . . . 10.0 109.558 174.314 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -145.55 159.98 42.32 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.664 1.186 . . . . 10.0 111.088 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -140.76 99.76 3.69 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 107.097 -1.446 . . . . 10.0 107.097 170.432 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.2 m -126.61 80.47 1.94 Allowed 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 105.765 -1.939 . . . . 10.0 105.765 -171.774 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.0 t70 61.46 -36.53 0.11 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 127.453 2.301 . . . . 10.0 113.505 -165.849 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -114.92 147.08 40.45 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 127.869 2.468 . . . . 10.0 109.599 169.493 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 36.4 tp -85.29 129.11 34.88 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.261 1.425 . . . . 10.0 109.759 177.26 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.441 ' HE2' ' HB2' ' A' ' 53' ' ' ASP . 82.0 tttt -133.96 144.08 48.56 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.609 0.719 . . . . 10.0 111.002 171.342 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.9 p -131.07 140.69 47.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 C-N-CA 126.061 1.745 . . . . 10.0 107.23 168.433 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.441 ' HB2' ' HE2' ' A' ' 51' ' ' LYS . 5.8 t0 -140.31 140.35 35.63 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 125.041 1.336 . . . . 10.0 110.071 -175.126 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 16.5 mt -132.46 129.19 58.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.285 -0.87 . . . . 10.0 108.698 -170.083 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 59.5 m -131.58 122.73 26.56 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 123.925 0.89 . . . . 10.0 108.754 169.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.12 138.33 49.45 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.788 0.835 . . . . 10.0 110.166 177.79 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -140.12 145.9 38.17 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.043 1.337 . . . . 10.0 109.303 -177.236 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.5 tp -127.85 126.43 41.61 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 125.06 1.344 . . . . 10.0 109.983 -168.323 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -113.14 102.92 10.84 Favored 'General case' 0 C--N 1.337 0.032 0 C-N-CA 123.585 0.754 . . . . 10.0 109.015 176.802 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 30.6 mt -82.85 151.88 25.84 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.111 1.364 . . . . 10.0 111.901 169.158 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -63.11 142.94 58.19 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 108.22 -1.03 . . . . 10.0 108.22 164.925 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -64.77 -6.14 7.39 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.152 1.167 . . . . 10.0 114.152 -174.242 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.6 mt -93.28 3.33 55.82 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.973 1.309 . . . . 10.0 114.11 171.903 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.99 147.67 48.82 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.776 1.171 . . . . 10.0 112.631 175.544 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -144.82 94.4 2.54 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.66 1.584 . . . . 10.0 110.232 -173.587 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.61 -178.43 6.73 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.895 1.278 . . . . 10.0 112.727 171.527 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -85.42 146.08 43.79 Favored Pre-proline 0 CA--C 1.547 0.848 0 O-C-N 121.199 -0.938 . . . . 10.0 113.083 -168.374 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -73.54 55.96 3.26 Favored 'Trans proline' 0 CA--C 1.545 1.035 1 C-N-CA 126.21 4.607 . . . . 10.0 113.43 -173.728 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 176.6 -3.65 0.03 OUTLIER Glycine 0 CA--C 1.539 1.544 0 C-N-CA 126.895 2.188 . . . . 10.0 114.395 178.154 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.7 tt -66.72 -23.14 30.71 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 CA-C-N 119.24 1.52 . . . . 10.0 114.119 -169.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.6 t -79.39 -48.71 20.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 124.263 1.025 . . . . 10.0 109.408 171.409 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.9 -40.73 70.1 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.387 1.875 . . . . 10.0 111.772 179.508 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -63.98 -33.16 75.1 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 118.593 -0.718 . . . . 10.0 112.427 171.668 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.433 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -66.51 -42.74 86.87 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 119.781 1.173 . . . . 10.0 110.827 175.075 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.445 HG12 ' CE2' ' A' ' 79' ' ' TYR . 2.4 t -66.18 -47.77 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 C-N-CA 122.976 0.51 . . . . 10.0 110.364 178.408 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -58.9 -41.48 87.29 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.658 0.783 . . . . 10.0 112.0 172.693 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.81 -39.39 94.12 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.163 -0.961 . . . . 10.0 111.377 175.556 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.15 -41.85 99.35 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 118.908 0.777 . . . . 10.0 112.333 170.243 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.445 ' CE2' HG12 ' A' ' 75' ' ' VAL . 45.6 m-85 -63.66 -43.2 97.45 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 119.21 0.914 . . . . 10.0 112.792 175.736 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -64.76 -41.68 95.71 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.727 1.149 . . . . 10.0 110.656 173.888 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 38.7 m -64.91 -31.51 72.77 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-O 117.95 -1.024 . . . . 10.0 112.41 -179.769 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -63.17 -47.19 83.67 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 119.878 1.217 . . . . 10.0 111.469 176.36 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.99 -41.24 87.09 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 118.783 -0.627 . . . . 10.0 111.538 178.093 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . 0.361 58.6 m -77.61 -17.74 57.5 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 115.106 1.521 . . . . 10.0 115.106 176.649 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -65.76 -36.43 83.54 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.055 -1.028 . . . . 10.0 109.242 164.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.5 mt -74.43 -34.27 63.17 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 118.036 -0.983 . . . . 10.0 112.202 171.952 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -56.7 -36.96 70.26 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.143 0.883 . . . . 10.0 108.662 166.934 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -75.64 -4.15 74.83 Favored Glycine 0 C--N 1.345 1.057 0 C-N-CA 125.021 1.296 . . . . 10.0 114.149 -177.661 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -121.81 -16.61 7.6 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 114.209 1.188 . . . . 10.0 114.209 179.281 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 82.1 mtm180 -148.15 -31.33 0.28 Allowed 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 116.143 1.905 . . . . 10.0 116.143 -174.812 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 . . . . . 0 C--O 1.256 1.396 0 CA-C-O 115.979 -1.962 . . . . 10.0 111.391 -166.453 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.484 1.23 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 m -172.65 -36.32 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.409 1.483 . . . . 10.0 111.079 171.265 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.445 ' H ' HD23 ' A' ' 3' ' ' LEU . 1.6 pt? -67.02 166.33 13.91 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 122.996 0.519 . . . . 10.0 109.966 166.81 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.47 178.15 7.52 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.921 0.888 . . . . 10.0 111.114 -175.189 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -58.84 113.52 2.1 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.866 0.867 . . . . 10.0 108.662 169.019 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 mp -74.54 116.55 15.36 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 121.313 0.578 . . . . 10.0 110.532 -168.666 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.5 t -141.68 -169.41 2.89 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.102 1.361 . . . . 10.0 110.188 177.125 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -48.47 -36.37 14.9 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.55 1.54 . . . . 10.0 113.159 -177.093 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.44 -48.84 60.51 Favored Glycine 0 CA--C 1.533 1.182 0 CA-C-O 119.372 -0.682 . . . . 10.0 113.661 176.95 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.98 -42.75 89.44 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.696 1.248 . . . . 10.0 110.907 177.052 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.4 mp -65.08 -37.9 89.02 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 118.448 -0.787 . . . . 10.0 112.624 176.772 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -66.73 -45.8 77.51 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 119.338 0.972 . . . . 10.0 111.625 169.413 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -59.57 -44.3 93.33 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 119.6 1.091 . . . . 10.0 111.408 178.87 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.0 mt -65.12 -46.53 90.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 C-N-CA 123.416 0.686 . . . . 10.0 110.466 175.181 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.3 m -64.64 -38.39 90.83 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.382 -0.824 . . . . 10.0 111.406 -178.28 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.0 t -67.58 -43.45 80.52 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.439 1.495 . . . . 10.0 112.019 172.7 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -56.83 -42.51 79.77 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 119.158 0.89 . . . . 10.0 111.459 172.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.3 mt -69.37 -47.22 64.92 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 118.395 -0.812 . . . . 10.0 111.915 176.911 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -56.45 -49.92 73.2 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.669 1.122 . . . . 10.0 111.732 174.32 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -63.03 -34.93 78.62 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 118.961 -0.542 . . . . 10.0 111.41 178.94 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.8 m -61.1 -46.08 92.07 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 118.961 0.8 . . . . 10.0 111.368 174.771 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.521 HG23 ' HB1' ' A' ' 74' ' ' ALA . 52.5 mt -66.03 -48.29 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-N 118.532 0.606 . . . . 10.0 110.689 175.934 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.5 m -60.71 -45.3 94.75 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.188 0.595 . . . . 10.0 111.83 -178.408 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.04 -38.85 90.28 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 114.088 1.144 . . . . 10.0 114.088 169.029 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -62.88 -45.81 90.81 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 120.345 1.43 . . . . 10.0 110.268 176.176 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.1 mt -60.11 -53.04 54.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-O 118.04 -0.981 . . . . 10.0 109.62 177.844 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.4 mp -62.74 -13.75 36.38 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 114.264 1.209 . . . . 10.0 114.264 179.308 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -107.5 4.68 26.38 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.218 1.407 . . . . 10.0 112.157 175.576 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.8 tpt85 -125.05 -29.39 3.33 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.043 1.737 . . . . 10.0 113.305 -179.917 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.7 t -143.16 144.09 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 128.298 2.639 . . . . 10.0 108.655 170.341 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.7 t -73.06 136.46 44.97 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 120.623 -1.298 . . . . 10.0 112.298 177.307 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.89 -24.81 3.87 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.631 1.572 . . . . 10.0 113.323 168.631 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -63.26 -43.13 98.85 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.906 1.23 . . . . 10.0 111.224 169.812 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -73.13 -12.78 61.02 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.222 1.409 . . . . 10.0 112.232 -176.365 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 86.1 mt -105.71 128.11 60.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 C-N-CA 128.119 2.568 . . . . 10.0 109.272 -175.055 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.1 t -73.32 -50.33 31.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 123.542 0.737 . . . . 10.0 109.542 169.294 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -162.11 174.66 12.66 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.399 0.679 . . . . 10.0 112.688 172.058 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.0 pt -133.67 143.04 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 125.273 1.429 . . . . 10.0 110.563 172.554 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -123.38 117.58 25.52 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 108.432 -0.951 . . . . 10.0 108.432 177.689 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.9 mt -131.14 121.75 49.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 108.538 -0.912 . . . . 10.0 108.538 -174.284 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.2 m -119.84 126.87 52.03 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 124.88 1.272 . . . . 10.0 109.1 176.459 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 67.9 t -115.53 130.12 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.122 0 N-CA-C 107.042 -1.466 . . . . 10.0 107.042 169.32 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 72.2 mt -117.68 139.27 51.25 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 124.923 1.289 . . . . 10.0 108.398 172.898 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.8 p -139.1 131.07 36.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 108.421 -0.955 . . . . 10.0 108.421 178.155 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -139.19 155.48 47.79 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.926 1.29 . . . . 10.0 110.415 -169.778 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -142.35 102.34 4.07 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 108.784 -0.821 . . . . 10.0 108.784 175.791 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.2 m -131.7 89.4 2.69 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 120.93 -1.106 . . . . 10.0 109.435 173.914 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.7 t70 63.7 -28.94 0.09 Allowed 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 127.093 2.157 . . . . 10.0 114.205 -168.942 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -129.72 154.65 46.97 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 127.249 2.22 . . . . 10.0 110.149 171.168 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 53.1 tp -85.37 129.21 34.86 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.308 1.843 . . . . 10.0 110.048 177.799 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 56.1 tttm -131.77 142.2 49.69 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.809 1.243 . . . . 10.0 110.406 -178.295 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 86.9 t -136.15 141.24 42.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 125.424 1.49 . . . . 10.0 108.482 176.773 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -137.39 137.45 38.85 Favored 'General case' 0 C--O 1.233 0.237 0 C-N-CA 125.35 1.46 . . . . 10.0 107.871 179.631 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.419 HG21 HD11 ' A' ' 22' ' ' ILE . 30.6 mt -132.1 131.61 61.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 N-CA-C 109.21 -0.663 . . . . 10.0 109.21 179.062 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 65.5 m -131.81 133.16 44.39 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 124.377 1.071 . . . . 10.0 110.303 169.169 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.22 147.54 52.61 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.42 1.088 . . . . 10.0 110.824 177.657 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.93 147.48 48.12 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 125.828 1.651 . . . . 10.0 111.239 -176.64 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -127.84 104.38 7.79 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 125.849 1.66 . . . . 10.0 109.004 -169.865 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -103.57 102.85 12.74 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.095 -1.076 . . . . 10.0 108.095 175.671 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 39.3 mt -88.64 152.1 22.04 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.898 2.079 . . . . 10.0 111.775 -175.267 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -59.46 147.09 37.86 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 121.061 0.458 . . . . 10.0 111.07 169.436 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -67.75 7.6 0.48 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 126.388 1.875 . . . . 10.0 113.323 -177.499 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 93.0 mt -129.37 3.39 5.13 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 127.749 2.42 . . . . 10.0 111.964 178.533 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.6 m -88.83 162.9 15.92 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.943 1.297 . . . . 10.0 111.635 175.339 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -158.01 110.7 2.38 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.298 1.439 . . . . 10.0 107.662 -177.479 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -131.95 -178.47 4.9 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 126.503 1.921 . . . . 10.0 112.631 -172.219 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -85.51 143.71 39.12 Favored Pre-proline 0 CA--C 1.546 0.825 0 O-C-N 120.904 -1.122 . . . . 10.0 112.572 -168.724 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -74.48 46.21 1.38 Allowed 'Trans proline' 0 CA--C 1.547 1.17 1 C-N-CA 125.865 4.377 . . . . 10.0 113.696 -176.257 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.09 13.61 0.02 OUTLIER Glycine 0 CA--C 1.539 1.588 0 C-N-CA 127.067 2.27 . . . . 10.0 114.291 177.007 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.0 tt -63.83 -25.42 38.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-N 118.67 1.235 . . . . 10.0 114.064 -169.252 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.446 ' O ' HG23 ' A' ' 75' ' ' VAL . 7.3 p -86.07 -38.4 12.65 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.184 0 C-N-CA 124.56 1.144 . . . . 10.0 112.259 175.022 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -54.45 -36.5 64.14 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.753 1.221 . . . . 10.0 111.002 174.752 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -63.72 -40.78 97.61 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.584 0.754 . . . . 10.0 111.75 171.793 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.521 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -68.2 -43.18 78.62 Favored 'General case' 0 C--N 1.345 0.375 0 CA-C-N 118.65 0.659 . . . . 10.0 111.672 177.515 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.467 HG12 ' CE2' ' A' ' 79' ' ' TYR . 1.8 t -67.91 -45.26 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 O-C-N 122.043 -0.411 . . . . 10.0 110.508 -179.839 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -58.9 -37.33 76.37 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.114 0.966 . . . . 10.0 112.147 170.85 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.456 ' N ' HH21 ' A' ' 80' ' ' ARG . . . -62.94 -40.57 98.05 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 120.105 -1.622 . . . . 10.0 111.772 172.64 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.09 -43.12 88.2 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 118.524 -0.751 . . . . 10.0 112.67 171.364 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.467 ' CE2' HG12 ' A' ' 75' ' ' VAL . 42.7 m-85 -62.35 -43.03 99.77 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 120.189 1.359 . . . . 10.0 112.541 177.298 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.456 HH21 ' N ' ' A' ' 77' ' ' ALA . 87.5 mtm180 -67.87 -32.17 72.49 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.429 0.692 . . . . 10.0 111.906 174.103 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 40.0 m -70.03 -34.9 73.87 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.318 0.647 . . . . 10.0 112.081 172.589 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -66.34 -46.57 76.35 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.27 1.028 . . . . 10.0 111.012 173.049 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -58.84 -41.27 86.53 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 122.088 -0.382 . . . . 10.0 111.443 173.048 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.2 m -65.55 -36.25 83.25 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.174 0.989 . . . . 10.0 112.304 175.334 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -65.65 -42.2 91.69 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.269 -0.894 . . . . 10.0 111.614 176.545 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -73.99 -34.1 64.08 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.109 0.868 . . . . 10.0 112.486 175.048 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -55.33 -40.06 70.73 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.757 0.708 . . . . 10.0 109.35 167.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.54 -2.05 9.85 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 124.851 1.215 . . . . 10.0 115.441 175.732 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -133.27 -14.63 2.6 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 115.468 1.655 . . . . 10.0 115.468 178.709 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -138.65 -18.29 1.08 Allowed 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 115.691 1.737 . . . . 10.0 115.691 177.724 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 . . . . . 0 C--O 1.251 1.152 0 CA-C-N 119.331 0.969 . . . . 10.0 110.757 -168.058 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.2 mtm . . . . . 0 N--CA 1.482 1.126 0 CA-C-O 119.101 -0.476 . . . . 10.0 110.172 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.8 m 48.16 54.52 10.09 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 115.734 1.753 . . . . 10.0 115.734 168.455 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 76.1 mt -48.51 157.97 0.32 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.343 1.457 . . . . 10.0 113.82 175.209 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -110.07 179.15 4.18 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.93 1.692 . . . . 10.0 110.556 -178.822 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -63.99 107.78 1.34 Allowed 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 107.158 -1.423 . . . . 10.0 107.158 171.37 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.9 mt -74.42 111.74 9.91 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-O 121.575 0.702 . . . . 10.0 110.959 -166.725 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.9 t -140.15 -168.19 2.48 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.214 1.406 . . . . 10.0 110.172 179.521 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -47.35 -37.5 11.23 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.874 1.67 . . . . 10.0 113.411 -175.791 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.33 -50.71 36.73 Favored Glycine 0 CA--C 1.533 1.177 0 CA-C-N 118.93 0.786 . . . . 10.0 113.6 178.237 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.87 -43.54 98.53 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 118.294 1.047 . . . . 10.0 110.244 178.602 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.3 mp -65.68 -42.56 91.12 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.58 1.152 . . . . 10.0 112.437 177.733 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -61.59 -46.23 90.75 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.398 0.999 . . . . 10.0 111.173 171.55 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -61.77 -44.16 97.44 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 118.77 0.714 . . . . 10.0 111.788 -179.289 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 84.7 mt -65.01 -42.87 95.82 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 122.945 0.498 . . . . 10.0 110.597 174.5 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.0 p -58.93 -38.08 78.14 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 118.974 0.806 . . . . 10.0 112.713 173.744 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.4 t -70.92 -42.15 70.26 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 124.804 1.242 . . . . 10.0 111.175 177.576 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -58.8 -42.63 89.55 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.881 0.764 . . . . 10.0 111.475 172.763 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.8 mt -66.9 -50.19 63.22 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 118.776 -0.63 . . . . 10.0 111.781 176.543 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -57.72 -49.87 75.11 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 119.226 0.921 . . . . 10.0 111.673 177.403 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -61.48 -37.53 83.96 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 118.615 -0.707 . . . . 10.0 111.115 178.528 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.2 m -61.11 -45.82 93.12 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 118.986 0.812 . . . . 10.0 111.832 175.721 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.646 HG23 ' HB1' ' A' ' 74' ' ' ALA . 59.5 mt -64.53 -47.55 88.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 118.878 0.763 . . . . 10.0 110.528 175.556 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.7 m -62.34 -42.77 99.66 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 118.436 0.562 . . . . 10.0 112.315 -178.909 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -65.49 -38.59 90.19 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.483 0.713 . . . . 10.0 111.913 172.085 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -61.32 -45.54 94.01 Favored 'General case' 0 C--N 1.345 0.371 0 CA-C-N 119.046 0.839 . . . . 10.0 111.061 173.232 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 63.6 mt -59.9 -47.69 90.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 118.902 0.774 . . . . 10.0 109.69 177.157 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.79 -26.99 67.67 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.749 1.018 . . . . 10.0 113.749 174.27 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.7 7.25 42.56 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.929 1.085 . . . . 10.0 113.929 171.533 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.82 -38.49 2.73 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.692 1.197 . . . . 10.0 114.151 178.758 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.9 t -148.18 153.27 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 125.682 1.593 . . . . 10.0 109.693 -177.065 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.5 t -84.67 136.49 33.72 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 115.151 1.537 . . . . 10.0 115.151 -169.287 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.02 -24.58 3.88 Favored 'General case' 0 CA--C 1.55 0.944 0 O-C-N 120.921 -1.112 . . . . 10.0 112.929 166.571 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -71.07 -10.22 59.38 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.839 1.422 . . . . 10.0 114.839 174.761 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -129.69 -21.52 3.08 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.532 1.533 . . . . 10.0 112.94 178.436 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.6 mm -70.86 110.74 4.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 N-CA-C 106.745 -1.576 . . . . 10.0 106.745 168.441 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.4 t -68.88 -47.41 76.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 C-N-CA 124.479 1.112 . . . . 10.0 109.718 175.434 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -162.58 177.02 9.8 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.062 0.945 . . . . 10.0 111.558 174.16 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.2 pt -141.07 138.01 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 125.131 1.372 . . . . 10.0 111.475 173.189 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -105.37 123.94 48.72 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 107.375 -1.342 . . . . 10.0 107.375 167.35 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 72.3 mt -131.11 122.6 51.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 N-CA-C 108.142 -1.058 . . . . 10.0 108.142 173.399 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 90.1 m -119.85 126.59 51.35 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 124.698 1.199 . . . . 10.0 109.174 175.752 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 66.8 t -115.45 129.29 71.98 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.097 0 N-CA-C 106.734 -1.58 . . . . 10.0 106.734 169.202 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 74.6 mt -117.68 139.29 51.22 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 125.092 1.357 . . . . 10.0 108.15 174.75 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.6 p -135.33 131.95 52.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 107.41 -1.329 . . . . 10.0 107.41 174.832 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -143.11 156.63 44.84 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.477 1.111 . . . . 10.0 110.488 -167.0 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -137.51 112.4 8.98 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 109.521 -0.548 . . . . 10.0 109.521 -178.065 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 99.4 m -131.84 85.83 2.28 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.153 -0.967 . . . . 10.0 109.481 171.309 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.4 t70 64.63 -35.08 0.17 Allowed 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 127.293 2.237 . . . . 10.0 113.82 -168.593 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -120.78 157.48 29.62 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 127.987 2.515 . . . . 10.0 110.566 170.877 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -85.32 129.13 34.87 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 126.438 1.895 . . . . 10.0 109.506 178.785 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 tmmt? -131.34 150.22 52.24 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.304 1.042 . . . . 10.0 110.647 177.608 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.5 t -132.27 145.05 35.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 125.383 1.473 . . . . 10.0 108.542 177.735 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.48 138.55 49.03 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.936 1.694 . . . . 10.0 107.638 175.382 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.416 HG21 HD11 ' A' ' 22' ' ' ILE . 24.9 mt -132.06 130.68 61.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 N-CA-C 109.025 -0.732 . . . . 10.0 109.025 178.271 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.8 m -131.97 138.24 48.22 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 123.772 0.829 . . . . 10.0 110.703 168.505 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.23 151.19 51.72 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.201 1.0 . . . . 10.0 109.975 172.111 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -141.66 146.05 35.68 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.798 1.239 . . . . 10.0 110.433 173.654 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -120.01 105.76 11.35 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 126.677 1.991 . . . . 10.0 110.324 -167.66 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -92.04 102.92 15.48 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 108.436 -0.95 . . . . 10.0 108.436 174.389 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.8 mt -92.64 151.81 19.9 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 124.813 1.245 . . . . 10.0 111.038 172.052 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -58.95 147.02 35.84 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 121.241 0.543 . . . . 10.0 111.306 169.025 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -69.28 9.85 0.39 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.258 1.423 . . . . 10.0 114.506 -174.745 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.1 mt -124.47 1.3 8.31 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.673 1.989 . . . . 10.0 112.808 179.938 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.4 164.8 12.31 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.298 0.954 . . . . 10.0 112.309 172.258 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -155.44 107.44 2.64 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.156 1.782 . . . . 10.0 107.265 -171.688 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -130.03 -177.36 4.27 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.534 1.934 . . . . 10.0 111.621 -174.673 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -85.23 135.13 39.5 Favored Pre-proline 0 CA--C 1.548 0.89 0 O-C-N 120.719 -1.238 . . . . 10.0 112.394 -166.714 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -74.99 62.4 5.85 Favored 'Trans proline' 0 C--N 1.356 0.943 1 C-N-CA 125.8 4.334 . . . . 10.0 112.786 -169.889 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.1 -8.73 0.03 OUTLIER Glycine 0 CA--C 1.533 1.179 0 C-N-CA 125.013 1.292 . . . . 10.0 115.211 -177.242 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 31.6 mt -53.84 -31.19 20.18 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 CA-C-N 120.051 1.925 . . . . 10.0 113.999 -178.84 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.6 t -60.76 -60.59 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 123.786 0.835 . . . . 10.0 110.029 171.173 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -57.12 -37.36 71.87 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 125.318 1.447 . . . . 10.0 111.311 179.066 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.64 -37.43 87.33 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 118.741 -0.647 . . . . 10.0 110.837 174.392 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.646 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -67.77 -41.75 82.77 Favored 'General case' 0 C--N 1.343 0.322 0 CA-C-N 119.263 0.938 . . . . 10.0 111.151 -179.875 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.569 HG12 ' CE2' ' A' ' 79' ' ' TYR . 2.9 t -72.91 -43.05 60.27 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 122.598 0.359 . . . . 10.0 111.139 179.695 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -58.82 -39.2 80.49 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.28 1.832 . . . . 10.0 112.304 171.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.59 -44.69 93.32 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.357 -0.839 . . . . 10.0 111.553 170.509 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.71 -43.49 94.1 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.913 0.778 . . . . 10.0 112.217 173.24 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.569 ' CE2' HG12 ' A' ' 75' ' ' VAL . 37.6 m-85 -62.39 -43.23 99.31 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.847 0.749 . . . . 10.0 112.341 177.226 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 23.1 mtt85 -71.44 -27.07 63.02 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.325 0.966 . . . . 10.0 113.077 173.7 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.7 p -63.19 -42.23 99.31 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 118.811 0.732 . . . . 10.0 110.897 169.486 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.2 tp -67.97 -44.13 77.42 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.075 0.95 . . . . 10.0 111.187 178.668 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -58.8 -41.23 86.28 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.302 1.041 . . . . 10.0 111.343 173.572 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.1 m -72.39 -28.89 63.29 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.025 0.93 . . . . 10.0 112.84 176.204 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -79.16 -42.43 26.16 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.931 0.892 . . . . 10.0 111.618 -177.461 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -67.86 -26.84 66.23 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.719 1.145 . . . . 10.0 113.307 178.635 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -63.16 1.15 0.5 Allowed 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 126.866 2.066 . . . . 10.0 112.825 167.552 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -138.07 19.19 3.29 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 125.85 1.69 . . . . 10.0 112.836 168.945 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -137.78 -27.17 0.93 Allowed 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 115.379 1.622 . . . . 10.0 115.379 -177.532 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 33.8 mtp85 -117.35 -40.51 3.06 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.556 1.071 . . . . 10.0 113.812 177.393 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.114 0 C-N-CA 126.681 1.992 . . . . 10.0 110.062 -172.945 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mmt . . . . . 0 N--CA 1.48 1.072 0 N-CA-C 110.211 -0.292 . . . . 10.0 110.211 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 m -167.9 126.52 1.24 Allowed 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.107 1.363 . . . . 10.0 108.93 169.799 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.8 mt -73.0 169.0 17.88 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.854 0.862 . . . . 10.0 111.801 175.382 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 27.2 mmt85 -122.08 -166.28 1.38 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.339 1.856 . . . . 10.0 109.07 170.369 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.02 131.64 40.99 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 121.419 -0.8 . . . . 10.0 110.372 174.374 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.2 mt -74.82 106.94 6.6 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 121.841 -0.537 . . . . 10.0 110.207 -172.931 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.3 t -149.75 -169.08 3.28 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 126.093 1.757 . . . . 10.0 108.734 -174.894 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.53 21.78 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 129.929 3.292 . . . . 10.0 114.604 -169.299 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -136.07 -56.21 0.06 OUTLIER Glycine 0 CA--C 1.528 0.875 0 C-N-CA 127.289 2.376 . . . . 10.0 110.331 173.808 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -61.74 -41.19 97.34 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.172 0.986 . . . . 10.0 112.727 175.172 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.8 mt -68.57 -36.3 78.56 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.687 -0.633 . . . . 10.0 111.741 176.722 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -67.7 -42.27 82.26 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.24 0.616 . . . . 10.0 111.328 173.661 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -58.74 -44.06 90.4 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.921 0.888 . . . . 10.0 111.408 173.496 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 79.1 mt -67.14 -45.14 87.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-O 118.62 -0.705 . . . . 10.0 111.643 176.187 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.3 m -59.32 -38.17 79.6 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 120.1 1.318 . . . . 10.0 111.731 172.37 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.7 t -66.06 -43.83 86.31 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.178 -0.952 . . . . 10.0 112.025 174.922 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -61.06 -41.12 96.0 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.179 0.992 . . . . 10.0 111.79 174.745 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.5 mt -63.85 -48.72 75.64 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.859 0.864 . . . . 10.0 111.737 174.104 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -58.51 -48.87 79.41 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 118.42 0.554 . . . . 10.0 111.405 176.002 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.15 -37.48 85.38 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-O 118.539 -0.743 . . . . 10.0 111.482 176.65 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.7 m -60.99 -47.17 87.7 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.156 0.889 . . . . 10.0 110.771 178.786 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.586 HG23 ' HB1' ' A' ' 74' ' ' ALA . 65.8 mt -65.66 -43.38 93.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-N 118.382 0.537 . . . . 10.0 110.722 176.206 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.4 t -58.39 -50.92 71.96 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 122.916 0.486 . . . . 10.0 111.956 176.928 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.16 -39.0 77.7 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 112.941 0.719 . . . . 10.0 112.941 171.706 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.488 ' CE1' ' HD3' ' A' ' 29' ' ' ARG . 31.4 t80 -66.82 -45.77 77.25 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.657 0.662 . . . . 10.0 110.946 -179.522 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 87.5 mt -62.34 -47.51 92.71 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 C-N-CA 124.078 0.951 . . . . 10.0 110.361 176.502 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.09 -9.11 19.9 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.694 0.998 . . . . 10.0 113.694 176.713 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.8 mtmt -117.65 18.45 14.18 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.034 1.734 . . . . 10.0 112.087 170.859 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.488 ' HD3' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -120.6 -41.3 2.59 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 127.451 2.3 . . . . 10.0 113.215 168.893 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.4 t -144.25 152.1 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.599 1.56 . . . . 10.0 109.757 -174.08 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.1 t -80.74 136.51 36.17 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 115.336 1.606 . . . . 10.0 115.336 -169.928 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -50.62 -24.62 3.41 Favored 'General case' 0 CA--C 1.551 0.981 0 O-C-N 120.776 -1.202 . . . . 10.0 112.603 165.314 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -74.82 -11.32 60.12 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 115.043 1.498 . . . . 10.0 115.043 175.073 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -127.22 -22.28 3.76 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.547 1.139 . . . . 10.0 112.522 179.737 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.1 mm -70.88 116.79 13.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 N-CA-C 106.566 -1.642 . . . . 10.0 106.566 167.056 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.2 t -71.29 -49.25 49.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 C-N-CA 123.707 0.803 . . . . 10.0 109.61 170.244 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -163.64 176.12 9.95 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.776 0.831 . . . . 10.0 112.183 171.082 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.7 pt -134.78 142.97 38.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 124.861 1.264 . . . . 10.0 110.564 171.738 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -127.51 116.47 20.44 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 123.992 0.917 . . . . 10.0 108.665 179.39 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.2 mt -131.14 120.06 45.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 N-CA-C 108.671 -0.863 . . . . 10.0 108.671 -173.697 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 41.3 m -119.86 117.24 27.62 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 123.884 0.874 . . . . 10.0 108.728 171.303 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -116.18 117.94 57.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 C-N-CA 125.107 1.363 . . . . 10.0 111.459 172.599 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 mp -116.93 139.24 50.88 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 125.833 1.653 . . . . 10.0 109.775 -171.753 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.7 p -135.47 140.97 43.68 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 124.172 0.989 . . . . 10.0 110.187 -176.821 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -140.14 159.56 41.92 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 127.181 2.192 . . . . 10.0 110.7 -173.036 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -134.09 98.96 4.27 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 105.286 -2.116 . . . . 10.0 105.286 164.815 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 92.3 m -131.62 80.55 1.93 Allowed 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 106.208 -1.775 . . . . 10.0 106.208 -173.329 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.5 t70 60.95 -43.89 0.12 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 127.517 2.327 . . . . 10.0 112.965 -165.735 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -98.31 154.01 18.12 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.823 2.049 . . . . 10.0 109.963 168.037 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.5 tp -85.27 122.34 29.31 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 105.201 -2.148 . . . . 10.0 105.201 165.561 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -135.88 137.36 41.36 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.93 0.395 . . . . 10.0 111.15 -175.781 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.7 p -136.15 137.93 47.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 C-N-CA 125.131 1.372 . . . . 10.0 108.29 177.139 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -136.82 146.31 45.5 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 124.09 0.956 . . . . 10.0 110.905 178.049 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.442 HG21 HD11 ' A' ' 22' ' ' ILE . 17.1 mt -132.0 117.21 32.58 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 124.787 1.235 . . . . 10.0 109.843 -166.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.3 t -116.18 125.01 51.71 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 124.359 1.064 . . . . 10.0 108.972 174.592 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.22 141.83 50.08 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.39 1.076 . . . . 10.0 110.693 178.905 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.35 147.51 52.58 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 125.989 1.716 . . . . 10.0 111.137 -176.622 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -126.8 104.4 8.04 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 125.692 1.597 . . . . 10.0 108.746 -169.947 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -103.13 117.46 34.6 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.324 -0.991 . . . . 10.0 108.324 175.89 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 16.8 mt -122.47 151.81 40.93 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 127.231 2.212 . . . . 10.0 110.704 -168.336 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -66.77 146.91 53.94 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 112.66 0.615 . . . . 10.0 112.66 179.099 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.07 -10.79 43.64 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.317 1.447 . . . . 10.0 114.565 -177.869 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.9 mp -104.01 0.09 29.47 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 119.768 1.167 . . . . 10.0 112.444 170.835 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 61.7 p -76.84 169.73 17.78 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.93 0.892 . . . . 10.0 113.264 177.284 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -158.56 106.28 1.89 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.647 1.579 . . . . 10.0 107.993 179.231 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -131.36 173.9 10.61 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.18 1.792 . . . . 10.0 111.713 -177.681 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -85.32 139.73 36.31 Favored Pre-proline 0 CA--C 1.547 0.833 0 O-C-N 121.147 -0.971 . . . . 10.0 113.442 -166.15 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -75.17 48.75 2.12 Favored 'Trans proline' 0 CA--C 1.545 1.058 1 C-N-CA 126.265 4.643 . . . . 10.0 113.416 -172.138 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.05 3.89 0.02 OUTLIER Glycine 0 CA--C 1.537 1.421 0 C-N-CA 127.1 2.286 . . . . 10.0 114.436 -177.677 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.5 tt -63.08 -20.44 25.84 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 CA-C-N 119.792 1.796 . . . . 10.0 114.328 -174.599 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.8 p -86.0 -32.73 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 C-N-CA 124.665 1.186 . . . . 10.0 112.695 169.773 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.24 -36.09 76.96 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 119.095 0.861 . . . . 10.0 110.158 171.538 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -63.64 -40.75 97.66 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 119.059 -0.496 . . . . 10.0 110.54 171.246 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.586 ' HB1' HG23 ' A' ' 22' ' ' ILE . . . -68.1 -43.8 77.68 Favored 'General case' 0 C--N 1.343 0.324 0 CA-C-N 119.35 0.977 . . . . 10.0 112.416 -177.359 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.536 HG12 ' CE2' ' A' ' 79' ' ' TYR . 9.2 t -72.21 -40.73 66.18 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-O 118.873 -0.584 . . . . 10.0 110.517 -179.849 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -58.68 -42.81 89.39 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.64 1.176 . . . . 10.0 111.754 170.114 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.23 -40.08 96.44 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 118.745 -0.645 . . . . 10.0 111.968 173.912 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.8 -44.8 95.2 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.26 0.936 . . . . 10.0 112.315 172.637 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.536 ' CE2' HG12 ' A' ' 75' ' ' VAL . 47.6 m-85 -61.65 -43.14 99.42 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 118.953 0.797 . . . . 10.0 112.242 176.103 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 75.8 mtt-85 -72.18 -36.02 69.13 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.693 -0.63 . . . . 10.0 112.348 177.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 42.2 t -63.01 -43.5 98.57 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 123.831 0.852 . . . . 10.0 109.958 173.383 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 46.3 tp -66.15 -47.61 73.46 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-O 118.478 -0.772 . . . . 10.0 112.594 -178.911 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -73.3 -28.15 61.93 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 119.431 1.014 . . . . 10.0 110.765 -178.698 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.2 m -63.98 -50.21 69.44 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.222 0.464 . . . . 10.0 110.644 169.25 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -60.68 -36.45 78.78 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.206 1.003 . . . . 10.0 112.505 177.858 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -67.79 -8.75 38.47 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 117.52 -1.229 . . . . 10.0 113.796 173.219 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -59.93 -16.41 29.6 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 120.873 1.669 . . . . 10.0 113.001 169.524 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -90.55 -2.72 72.54 Favored Glycine 0 CA--C 1.533 1.206 0 CA-C-O 118.527 -1.152 . . . . 10.0 114.077 172.962 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -143.5 -14.23 0.67 Allowed 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 116.309 1.966 . . . . 10.0 116.309 -168.924 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 30.4 mtp85 -132.1 -5.01 3.48 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 116.601 2.074 . . . . 10.0 116.601 -176.464 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 . . . . . 0 C--O 1.251 1.14 0 CA-C-O 117.581 -1.199 . . . . 10.0 111.925 -179.866 . . . . . . . . 0 0 . 1 stop_ save_