data_2d9s_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 2d9s _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 ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 tp . . . . . 0 N--CA 1.457 -0.082 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.2 m -57.61 -31.07 65.85 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.206 1.402 . . . . 0.0 108.82 178.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.2 p -57.06 -21.23 29.94 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 127.614 2.366 . . . . 0.0 111.528 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -102.68 -29.55 11.45 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 125.009 1.324 . . . . 0.0 110.851 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 76.6 mt -61.52 -42.74 95.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 178.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -60.42 -37.55 81.23 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 125.11 1.364 . . . . 0.0 110.711 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 83.0 mtt-85 -74.82 -33.6 62.22 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 121.451 -0.781 . . . . 0.0 110.395 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.4 mt -67.52 -30.68 70.41 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 118.662 -0.685 . . . . 0.0 110.703 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 55.6 mtt -61.26 -40.58 94.61 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 177.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.4 t -57.49 -44.0 84.62 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.245 1.418 . . . . 0.0 110.349 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -63.4 -19.65 64.86 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.402 0.681 . . . . 0.0 112.335 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.83 2.02 34.37 Favored Glycine 0 C--N 1.335 0.504 0 CA-C-O 118.313 -1.27 . . . . 0.0 112.935 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -75.47 131.27 40.01 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 106.591 -1.633 . . . . 0.0 106.591 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.7 t -69.38 161.25 29.77 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 118.527 0.603 . . . . 0.0 110.707 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -56.11 -43.49 78.19 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -61.52 -48.01 83.0 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 123.292 0.637 . . . . 0.0 110.604 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -56.71 -47.11 80.65 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.139 0.976 . . . . 0.0 110.296 -179.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.1 mt -57.73 -50.83 76.24 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -60.77 -55.48 32.66 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-O 118.432 -0.794 . . . . 0.0 110.573 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -48.21 -41.26 26.84 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.58 1.082 . . . . 0.0 111.051 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.01 -46.0 69.11 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 118.633 0.651 . . . . 0.0 109.598 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 23.2 mt -57.79 -45.66 85.72 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 118.903 0.774 . . . . 0.0 110.526 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 83.7 t -55.9 -48.94 77.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 C-N-CA 124.727 1.211 . . . . 0.0 111.222 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.8 mt -74.67 -32.15 28.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 C-N-CA 123.488 0.715 . . . . 0.0 110.814 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.31 2.76 20.3 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.148 0.979 . . . . 0.0 111.959 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 42.5 m170 59.33 49.96 8.3 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.933 1.693 . . . . 0.0 109.306 -178.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.8 m120 62.47 15.92 8.23 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 129.424 3.09 . . . . 0.0 113.978 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -80.81 105.73 12.27 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.7 tp -62.92 -38.31 81.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 118.879 0.763 . . . . 0.0 112.052 -179.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -62.76 -50.44 71.04 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 119.875 1.216 . . . . 0.0 110.719 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 16.2 ttt -60.55 -44.74 95.8 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 125.161 1.384 . . . . 0.0 108.045 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.1 -41.05 99.3 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 122.841 0.456 . . . . 0.0 110.637 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 43.2 mttm -61.77 -41.12 97.29 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -59.37 -43.4 92.87 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 123.455 0.702 . . . . 0.0 110.308 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 97.0 mt -54.74 -55.45 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 72.1 mt -56.65 -43.59 80.49 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.34 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 -66.37 -17.69 64.92 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -117.08 -10.96 10.79 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 120.376 1.444 . . . . 0.0 112.195 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -123.56 -47.97 1.95 Allowed 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.0 t . . . . . 0 CA--C 1.547 0.83 0 C-N-CA 123.799 0.84 . . . . 0.0 109.897 179.755 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 9.5 mp . . . . . 0 CA--C 1.531 0.239 0 CA-C-O 118.709 -0.663 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 1.5 m -48.8 -42.43 35.88 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.58 1.552 . . . . 0.0 112.021 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.84 -32.63 74.21 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.562 1.145 . . . . 0.0 113.255 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -78.12 -30.11 49.25 Favored 'General case' 0 C--O 1.23 0.06 0 CA-C-N 118.652 0.66 . . . . 0.0 110.977 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.16 -41.65 93.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 N-CA-C 106.158 -1.793 . . . . 0.0 106.158 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -65.1 -38.04 89.45 Favored 'General case' 0 C--O 1.233 0.214 0 O-C-N 121.865 -0.522 . . . . 0.0 110.195 178.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 84.2 mtt-85 -65.64 -33.49 76.02 Favored 'General case' 0 C--N 1.343 0.315 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 35.6 mt -70.09 -32.7 70.89 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 118.42 -0.8 . . . . 0.0 110.963 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 39.4 mtt -63.14 -36.41 83.53 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 119.254 0.934 . . . . 0.0 108.558 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.34 -35.62 72.19 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.478 1.511 . . . . 0.0 109.932 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -68.39 -31.43 70.78 Favored 'General case' 0 N--CA 1.457 -0.125 0 O-C-N 121.406 -0.809 . . . . 0.0 110.771 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.07 -13.93 6.65 Favored Glycine 0 CA--C 1.523 0.551 0 C-N-CA 125.162 1.363 . . . . 0.0 112.995 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -64.09 136.78 57.57 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.541 1.171 . . . . 0.0 108.627 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 10.2 t -79.63 153.3 29.48 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -52.63 -41.56 63.84 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 123.985 0.914 . . . . 0.0 111.636 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -58.35 -54.84 42.41 Favored 'General case' 0 C--N 1.342 0.252 0 CA-C-N 118.702 0.683 . . . . 0.0 109.562 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -59.65 -41.42 90.49 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.934 0.893 . . . . 0.0 110.533 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 60.4 mt -58.71 -47.5 88.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 CA-C-N 119.582 1.083 . . . . 0.0 108.559 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -62.79 -49.48 74.79 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 118.014 -0.993 . . . . 0.0 108.982 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -54.24 -40.18 67.48 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 120.633 1.561 . . . . 0.0 111.131 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.16 -47.8 81.12 Favored 'General case' 0 N--CA 1.463 0.225 0 O-C-N 121.52 -0.738 . . . . 0.0 109.024 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 20.8 mt -59.09 -45.67 90.26 Favored 'General case' 0 CA--C 1.522 -0.116 0 C-N-CA 123.91 0.884 . . . . 0.0 110.155 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 78.6 t -55.04 -57.69 6.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 C-N-CA 125.245 1.418 . . . . 0.0 109.154 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 39.8 mt -63.65 -23.55 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 C-N-CA 123.315 0.646 . . . . 0.0 111.877 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.13 9.18 29.29 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 119.924 1.238 . . . . 0.0 111.2 179.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 10.5 m170 56.96 51.7 10.27 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.955 1.302 . . . . 0.0 107.907 -178.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 6.9 m120 69.95 -7.2 0.96 Allowed 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 129.469 3.107 . . . . 0.0 113.295 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -65.64 100.8 0.55 Allowed 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 119.985 1.266 . . . . 0.0 113.004 -177.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 4.7 tp -61.65 -40.77 87.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 124.801 1.24 . . . . 0.0 111.632 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -59.36 -49.77 76.52 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 119.53 1.059 . . . . 0.0 109.601 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 16.2 ttt -64.39 -53.09 53.93 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 126.376 1.87 . . . . 0.0 109.123 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.79 -39.87 68.87 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.473 1.109 . . . . 0.0 111.341 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -62.34 -40.8 97.59 Favored 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 178.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -61.19 -40.45 93.97 Favored 'General case' 0 C--N 1.339 0.129 0 CA-C-O 118.384 -0.817 . . . . 0.0 109.077 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 8.3 mt -60.55 -57.16 13.22 Favored 'Isoleucine or valine' 0 C--N 1.343 0.32 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 73.7 mt -52.33 -48.74 65.29 Favored 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 124.201 1.0 . . . . 0.0 109.965 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -61.45 -25.47 67.25 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 124.875 1.27 . . . . 0.0 114.174 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -99.3 -37.9 9.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 119.748 1.158 . . . . 0.0 113.26 -178.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -94.31 -60.39 1.74 Allowed 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 124.739 1.216 . . . . 0.0 111.751 -178.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.541 0.599 0 C-N-CA 123.852 0.861 . . . . 0.0 111.071 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.5 mp . . . . . 0 N--CA 1.458 -0.056 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.2 m -48.41 -49.11 36.32 Favored 'General case' 0 C--N 1.341 0.228 0 C-N-CA 124.797 1.239 . . . . 0.0 110.509 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.8 m -56.28 -37.48 69.9 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.605 1.162 . . . . 0.0 112.528 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -77.23 -28.99 53.9 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 118.966 0.803 . . . . 0.0 110.056 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 98.7 mt -64.2 -45.77 95.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 N-CA-C 104.467 -2.42 . . . . 0.0 104.467 177.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -58.6 -36.56 74.2 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.173 0.989 . . . . 0.0 109.58 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.9 mmt-85 -69.92 -38.18 76.16 Favored 'General case' 0 CA--C 1.518 -0.271 0 O-C-N 121.545 -0.722 . . . . 0.0 110.217 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.1 mt -67.34 -28.75 68.24 Favored 'General case' 0 N--CA 1.454 -0.255 0 O-C-N 121.672 -0.643 . . . . 0.0 109.584 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 17.0 mtt -61.52 -45.37 94.5 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 178.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.3 m -62.02 -29.29 70.17 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.929 0.892 . . . . 0.0 112.221 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -72.79 -14.9 61.63 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.615 1.098 . . . . 0.0 112.23 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.91 25.93 5.99 Favored Glycine 0 CA--C 1.527 0.788 0 CA-C-O 118.635 -1.092 . . . . 0.0 114.523 179.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -110.47 154.93 22.94 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 118.464 1.132 . . . . 0.0 111.463 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.7 m -82.62 158.63 22.95 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.895 1.278 . . . . 0.0 109.046 178.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -67.11 -36.66 82.42 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.826 0.85 . . . . 0.0 109.722 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -57.77 -55.51 34.0 Favored 'General case' 0 C--O 1.224 -0.238 0 C-N-CA 124.177 0.991 . . . . 0.0 108.884 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -53.53 -49.06 68.4 Favored 'General case' 0 N--CA 1.461 0.101 0 C-N-CA 124.53 1.132 . . . . 0.0 109.608 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.9 mt -56.24 -49.17 77.78 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 O-C-N 121.779 -0.575 . . . . 0.0 110.005 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 71.2 mm-40 -63.35 -42.8 98.94 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.892 0.877 . . . . 0.0 111.823 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -63.8 -44.33 93.62 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.966 0.803 . . . . 0.0 109.199 179.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.73 -39.13 93.54 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.2 mt -64.22 -50.63 67.26 Favored 'General case' 0 C--N 1.34 0.182 0 CA-C-O 118.473 -0.775 . . . . 0.0 112.075 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.9 p -61.33 -45.81 97.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 119.034 0.833 . . . . 0.0 110.924 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 72.0 mt -67.43 -31.82 54.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.71 10.19 4.31 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 120.93 -1.106 . . . . 0.0 110.288 178.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 34.4 m170 53.66 46.35 26.14 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.202 1.801 . . . . 0.0 109.178 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 72.33 6.43 5.5 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 128.726 2.81 . . . . 0.0 113.968 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -80.14 106.33 12.08 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 120.243 1.383 . . . . 0.0 109.858 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.5 tp -63.21 -41.34 92.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 123.803 0.841 . . . . 0.0 112.362 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -64.22 -46.58 83.25 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 119.637 1.108 . . . . 0.0 110.224 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 14.8 ttt -61.64 -46.86 87.99 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 178.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.59 -39.21 87.25 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 123.304 0.642 . . . . 0.0 111.099 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -58.63 -36.89 74.8 Favored 'General case' 0 C--O 1.234 0.289 0 O-C-N 121.341 -0.85 . . . . 0.0 109.855 178.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -67.76 -41.89 82.61 Favored 'General case' 0 C--N 1.341 0.222 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 64.7 mt -55.15 -54.71 21.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.3 mt -56.12 -44.74 79.43 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.443 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 -61.11 -35.2 76.37 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -103.9 -7.06 20.73 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 114.954 1.465 . . . . 0.0 114.954 -177.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -119.07 -36.64 3.36 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 119.175 0.898 . . . . 0.0 111.686 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.539 0.555 0 C-N-CA 125.21 1.404 . . . . 0.0 110.417 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 11.2 mp . . . . . 0 N--CA 1.467 0.376 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 7.2 p -52.2 -42.97 63.96 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.708 1.603 . . . . 0.0 109.284 177.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 8.9 m -59.63 -34.79 73.24 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 125.378 1.471 . . . . 0.0 110.714 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -78.33 -16.24 57.91 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 121.21 -0.931 . . . . 0.0 111.257 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 76.5 mt -69.08 -42.48 81.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 N-CA-C 104.149 -2.538 . . . . 0.0 104.149 177.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -58.81 -43.9 90.69 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 125.023 1.329 . . . . 0.0 109.622 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -63.49 -15.59 58.26 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 118.847 -0.597 . . . . 0.0 112.451 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 39.8 mt -98.45 -29.85 12.88 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 119.265 0.939 . . . . 0.0 108.686 178.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 49.7 mtt -58.52 -43.01 89.03 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 118.953 0.797 . . . . 0.0 109.366 178.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.71 6.32 0.5 Allowed 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.813 1.645 . . . . 0.0 114.651 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . 0.421 ' HB2' ' CD2' ' B' ' 21' ' ' TYR . 4.6 mm-40 -106.17 -15.3 14.9 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 120.19 -1.569 . . . . 0.0 110.557 178.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.52 3.29 53.26 Favored Glycine 0 CA--C 1.532 1.154 0 N-CA-C 110.009 -1.236 . . . . 0.0 110.009 -178.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . 0.421 ' CD2' ' HB2' ' B' ' 19' ' ' GLN . 45.1 m-85 -83.95 127.72 34.05 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 104.111 -2.551 . . . . 0.0 104.111 178.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 50.7 m -77.63 156.74 30.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 119.289 0.95 . . . . 0.0 111.567 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -51.05 -41.11 59.67 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 126.154 1.782 . . . . 0.0 111.589 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -55.86 -53.98 50.13 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 123.944 0.778 . . . . 0.0 110.187 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . 0.402 ' HA ' ' HE3' ' B' ' 28' ' ' LYS . 39.0 m-20 -58.73 -47.77 83.46 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.629 0.772 . . . . 0.0 109.532 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 40.1 mt -55.02 -48.16 76.14 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -61.88 -46.71 88.21 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.899 1.28 . . . . 0.0 109.947 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.402 ' HE3' ' HA ' ' B' ' 25' ' ' ASP . 7.7 mtmp? -56.6 -42.78 79.31 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 121.085 -1.009 . . . . 0.0 109.542 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.91 -44.38 77.07 Favored 'General case' 0 N--CA 1.452 -0.355 0 O-C-N 121.329 -0.857 . . . . 0.0 110.591 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 41.7 mt -58.19 -50.27 74.11 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 119.368 0.985 . . . . 0.0 112.004 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 9.3 p -61.18 -28.95 44.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 CA-C-N 118.403 0.547 . . . . 0.0 112.348 -179.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 86.4 mt -89.63 -23.65 6.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 O-C-N 121.264 -0.897 . . . . 0.0 110.013 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.22 10.13 28.4 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 120.514 -1.366 . . . . 0.0 111.254 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 12.6 m170 53.74 46.93 24.85 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 122.846 1.308 . . . . 0.0 108.841 -178.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 64.89 5.27 2.79 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 127.119 2.168 . . . . 0.0 112.687 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -70.94 99.88 1.86 Allowed 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 6.7 tp -58.01 -39.0 70.22 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 C-N-CA 125.169 1.388 . . . . 0.0 112.549 -179.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -69.38 -46.36 67.12 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.528 -0.732 . . . . 0.0 110.454 -179.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 16.4 ttt -61.05 -46.55 90.25 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.38 -45.68 92.68 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 123.654 0.782 . . . . 0.0 109.945 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 19.9 mttm -53.63 -39.44 64.98 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 119.207 0.912 . . . . 0.0 109.009 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -69.1 -44.1 73.17 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 118.617 -0.706 . . . . 0.0 110.418 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 71.7 mt -56.29 -51.55 62.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 CA-C-O 122.846 1.308 . . . . 0.0 107.732 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 24.3 mt -59.03 -21.93 59.87 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 125.052 1.341 . . . . 0.0 112.406 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -93.54 -12.45 29.56 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-O 117.047 -1.454 . . . . 0.0 112.915 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -119.58 -6.71 10.19 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 120.693 1.588 . . . . 0.0 113.658 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -118.41 -64.08 1.33 Allowed 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 104.716 -2.328 . . . . 0.0 104.716 178.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.549 0.938 0 C-N-CA 123.405 0.682 . . . . 0.0 109.28 177.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 CA--C 1.536 0.43 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.0 m -48.68 -56.63 7.99 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 125.024 1.33 . . . . 0.0 112.902 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -60.0 -20.95 60.48 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.653 1.181 . . . . 0.0 113.878 -179.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -86.38 -22.97 26.33 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 119.307 0.958 . . . . 0.0 109.554 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.8 mt -61.47 -47.59 92.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 N-CA-C 106.127 -1.805 . . . . 0.0 106.127 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -57.57 -37.41 73.12 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 126.514 1.925 . . . . 0.0 111.151 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -70.32 -37.6 74.77 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.2 mt -69.55 -29.37 66.93 Favored 'General case' 0 C--N 1.337 0.031 0 C-N-CA 124.401 1.081 . . . . 0.0 111.959 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 39.5 mtt -59.62 -29.71 68.2 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 120.012 1.278 . . . . 0.0 111.242 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.0 m -64.7 -23.79 67.36 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 118.517 0.599 . . . . 0.0 111.403 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -85.51 -1.37 57.01 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.382 1.073 . . . . 0.0 111.453 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.45 -15.39 60.09 Favored Glycine 0 CA--C 1.525 0.665 0 C-N-CA 125.507 1.527 . . . . 0.0 114.643 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -58.64 123.46 16.4 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 118.693 1.246 . . . . 0.0 111.226 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.8 m -64.92 143.8 57.71 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.033 0.933 . . . . 0.0 108.818 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -52.01 -45.13 64.44 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 123.634 0.774 . . . . 0.0 111.3 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -59.18 -47.01 86.88 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 117.524 0.147 . . . . 0.0 111.308 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -59.71 -42.59 93.41 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 121.154 -0.966 . . . . 0.0 109.743 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.3 mt -60.4 -41.55 87.79 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -63.05 -50.82 69.11 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.104 0.962 . . . . 0.0 110.098 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.8 mttp -57.53 -45.66 84.78 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.129 0.972 . . . . 0.0 109.753 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.17 -43.42 95.83 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 118.619 -0.705 . . . . 0.0 110.613 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 28.6 mt -62.69 -51.67 66.29 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 119.19 0.905 . . . . 0.0 112.902 -179.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.2 p -57.45 -47.58 84.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 118.121 0.419 . . . . 0.0 110.785 -178.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 72.6 mt -65.77 -38.56 82.52 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.04 7.18 3.45 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 37.0 m170 60.02 48.98 8.03 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 119.92 1.237 . . . . 0.0 108.375 -178.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 48.2 55.97 8.04 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 127.057 2.143 . . . . 0.0 109.73 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -125.07 105.3 9.07 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 123.986 0.914 . . . . 0.0 109.129 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.525 HG13 ' HE3' ' A' ' 41' ' ' LYS . 5.7 tp -61.29 -42.05 92.07 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.329 0 C-N-CA 122.84 0.456 . . . . 0.0 110.923 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -65.12 -18.76 65.57 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 125.355 1.462 . . . . 0.0 113.976 -177.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 14.9 ttt -98.53 -47.67 5.29 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 106.498 -1.667 . . . . 0.0 106.498 179.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.01 -38.77 80.01 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.68 0.792 . . . . 0.0 111.08 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.525 ' HE3' HG13 ' A' ' 37' ' ' ILE . 83.1 mttt -57.77 -41.07 81.27 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 123.99 0.916 . . . . 0.0 109.041 178.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -64.49 -45.83 85.63 Favored 'General case' 0 C--O 1.227 -0.111 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 25.9 mt -56.96 -48.55 81.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.3 mt -61.3 -30.93 70.79 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 123.021 0.528 . . . . 0.0 111.42 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -71.84 -37.18 70.32 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 123.349 0.66 . . . . 0.0 111.549 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -90.15 -55.7 3.51 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 -178.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -83.25 -10.71 58.4 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -178.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 C--N 1.324 -0.541 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 -179.864 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 CA--C 1.538 0.488 0 CA-C-O 121.097 0.475 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 3.4 p -62.54 -45.83 91.16 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 126.827 2.051 . . . . 0.0 112.277 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 49.4 m -66.31 -24.74 66.59 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.869 0.759 . . . . 0.0 109.292 178.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -76.58 -17.04 59.42 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 118.518 -0.753 . . . . 0.0 109.582 178.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 74.4 mt -65.52 -46.57 89.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 N-CA-C 104.971 -2.233 . . . . 0.0 104.971 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -56.66 -40.01 74.75 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.155 0.582 . . . . 0.0 111.282 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -58.03 -30.52 66.19 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.796 -0.565 . . . . 0.0 110.649 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 67.5 mt -87.96 -26.54 22.62 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 124.722 1.209 . . . . 0.0 110.863 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 34.8 mtt -62.76 -31.75 72.76 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 50.2 m -64.01 -13.48 46.99 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.744 1.218 . . . . 0.0 111.308 177.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -98.05 -15.26 20.1 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.151 1.38 . . . . 0.0 109.946 178.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.29 -2.45 61.14 Favored Glycine 0 CA--C 1.532 1.129 0 C-N-CA 126.611 2.053 . . . . 0.0 114.343 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -57.49 139.13 54.14 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 120.206 2.003 . . . . 0.0 109.451 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.4 m -66.68 145.55 55.44 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 122.501 0.32 . . . . 0.0 110.773 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -55.08 -46.96 75.49 Favored 'General case' 0 C--N 1.333 -0.109 0 C-N-CA 123.901 0.88 . . . . 0.0 109.078 179.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -58.03 -45.13 87.44 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 123.613 0.765 . . . . 0.0 110.006 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -62.14 -45.43 93.47 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 123.851 0.86 . . . . 0.0 109.562 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 47.0 mt -61.44 -44.98 99.49 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -61.13 -45.3 95.24 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.815 1.246 . . . . 0.0 110.013 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 41.7 mttt -59.55 -47.35 85.9 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 120.919 -1.113 . . . . 0.0 108.27 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.76 -43.65 94.2 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 119.01 -0.519 . . . . 0.0 109.931 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 30.9 mt -62.77 -53.51 53.24 Favored 'General case' 0 C--N 1.34 0.179 0 CA-C-O 118.393 -0.813 . . . . 0.0 111.658 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 5.4 p -59.72 -42.83 89.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-N 119.418 1.008 . . . . 0.0 111.555 -178.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 63.9 mt -68.72 -32.44 54.97 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 O-C-N 121.617 -0.677 . . . . 0.0 109.633 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.6 10.39 13.38 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 123.978 0.911 . . . . 0.0 112.354 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 8.8 m170 56.07 40.54 30.24 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 124.824 1.25 . . . . 0.0 110.32 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 74.18 6.19 4.7 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 128.043 2.537 . . . . 0.0 112.913 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -75.2 99.32 3.97 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 119.696 1.135 . . . . 0.0 108.809 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 6.1 tp -55.71 -40.21 59.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 124.881 1.272 . . . . 0.0 112.399 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -64.46 -48.61 74.6 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 125.159 1.383 . . . . 0.0 110.129 -177.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 6.7 ttt -65.46 -46.21 80.7 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 178.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.97 -42.91 86.04 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.36 1.064 . . . . 0.0 110.771 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -59.05 -43.77 91.72 Favored 'General case' 0 CA--C 1.517 -0.316 0 O-C-N 121.642 -0.662 . . . . 0.0 109.231 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -60.65 -37.65 82.25 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 118.59 -0.719 . . . . 0.0 109.559 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 67.3 mt -60.58 -54.87 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 178.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 68.6 mt -62.38 -6.27 3.14 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.993 1.317 . . . . 0.0 112.521 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -96.66 -21.11 17.81 Favored 'General case' 0 C--N 1.338 0.072 0 O-C-N 120.703 -1.248 . . . . 0.0 112.181 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -124.43 -6.98 7.54 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -178.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -115.1 -74.39 0.61 Allowed 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 178.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 18.8 m . . . . . 0 CA--C 1.543 0.697 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 177.668 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.0 tt . . . . . 0 CA--C 1.531 0.243 0 N-CA-C 110.675 -0.12 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.9 p -54.69 -40.43 69.15 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.811 0.844 . . . . 0.0 110.822 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.8 m -74.78 -5.98 46.41 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.542 1.537 . . . . 0.0 112.671 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -98.1 -31.78 11.95 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 178.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.4 mt -61.63 -48.1 90.3 Favored 'Isoleucine or valine' 0 C--N 1.342 0.276 0 N-CA-C 105.589 -2.004 . . . . 0.0 105.589 177.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -60.18 -30.95 69.68 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.339 0.656 . . . . 0.0 110.893 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -77.12 -33.36 56.83 Favored 'General case' 0 CA--C 1.52 -0.203 0 O-C-N 121.26 -0.9 . . . . 0.0 109.717 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.7 mt -69.62 -31.92 70.33 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 178.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 48.1 mtt -60.56 -32.95 72.0 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 119.145 0.884 . . . . 0.0 110.052 178.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.1 m -59.35 -26.52 65.13 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.925 1.29 . . . . 0.0 111.659 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -78.26 -9.54 59.27 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.254 0.621 . . . . 0.0 111.238 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.09 2.61 48.53 Favored Glycine 0 C--N 1.335 0.512 0 C-N-CA 125.278 1.418 . . . . 0.0 113.517 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -76.55 132.14 39.35 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 118.506 1.153 . . . . 0.0 109.26 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.8 m -75.96 158.17 32.27 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -51.31 -39.7 57.46 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 118.835 -0.603 . . . . 0.0 111.644 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -57.92 -48.3 80.3 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.409 0.684 . . . . 0.0 111.108 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -61.42 -48.42 81.26 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 125.46 1.504 . . . . 0.0 110.045 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.4 mt -61.26 -47.13 94.92 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 O-C-N 121.407 -0.808 . . . . 0.0 109.275 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -58.52 -49.93 75.6 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.564 1.546 . . . . 0.0 109.656 178.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -52.64 -47.51 67.03 Favored 'General case' 0 C--N 1.344 0.359 0 CA-C-N 120.018 1.281 . . . . 0.0 110.628 178.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.42 -38.65 81.17 Favored 'General case' 0 C--O 1.226 -0.142 0 CA-C-O 118.716 -0.659 . . . . 0.0 110.802 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 62.2 mt -66.75 -57.14 7.69 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 118.92 0.782 . . . . 0.0 110.15 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.1 p -57.63 -41.5 79.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 118.877 0.762 . . . . 0.0 111.299 -178.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 95.2 mt -68.23 -25.58 31.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 O-C-N 121.618 -0.677 . . . . 0.0 110.188 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.44 12.97 20.99 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.065 1.346 . . . . 0.0 110.611 178.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 15.0 m170 59.62 27.49 16.72 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.081 1.753 . . . . 0.0 111.024 -178.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 88.32 0.58 0.39 Allowed 'General case' 0 N--CA 1.464 0.255 1 C-N-CA 132.24 4.216 . . . . 0.0 113.202 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -65.32 110.32 2.58 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.76 1.164 . . . . 0.0 110.663 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.1 tp -65.88 -38.47 82.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -68.15 -38.85 82.58 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.331 -0.856 . . . . 0.0 110.813 -178.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 22.1 ttt -69.99 -49.82 47.75 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.34 -39.02 75.04 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.12 0.968 . . . . 0.0 111.207 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -58.17 -45.53 87.34 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 178.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -62.75 -34.54 77.42 Favored 'General case' 0 CA--C 1.527 0.06 0 CA-C-O 118.523 -0.751 . . . . 0.0 111.155 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 57.0 mt -58.54 -53.37 47.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 105.499 -2.037 . . . . 0.0 105.499 178.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 64.7 mt -73.53 27.88 0.07 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 127.05 2.14 . . . . 0.0 111.296 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -135.03 -20.49 1.69 Allowed 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 125.292 1.437 . . . . 0.0 112.575 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -122.43 -6.24 8.74 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.08 0.952 . . . . 0.0 111.373 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -119.88 -90.89 0.57 Allowed 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.446 -0.64 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 7.9 tt . . . . . 0 N--CA 1.47 0.568 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.42 -43.27 93.08 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 125.642 1.577 . . . . 0.0 110.733 178.287 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 75.0 m -70.18 -40.85 74.43 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.173 0.989 . . . . 0.0 109.336 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -59.19 -38.13 79.1 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.368 1.067 . . . . 0.0 110.503 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 54.8 mt -59.25 -40.42 81.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 178.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -72.53 -32.25 65.95 Favored 'General case' 0 N--CA 1.457 -0.106 0 O-C-N 121.485 -0.76 . . . . 0.0 110.581 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 37.8 mtp85 -63.82 -24.02 67.59 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 119.03 0.832 . . . . 0.0 109.552 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 16.5 mt -82.93 -33.09 26.87 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 124.772 1.229 . . . . 0.0 110.3 178.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 52.8 mtt -51.41 -42.43 61.45 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.938 1.245 . . . . 0.0 110.844 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 24.4 m -56.49 -12.54 1.78 Allowed 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 -86.34 1.07 52.44 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 120.24 1.382 . . . . 0.0 110.403 178.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.82 3.91 58.04 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 126.387 1.946 . . . . 0.0 110.85 -178.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 17.5 m-30 -72.87 147.74 45.09 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 126.766 2.026 . . . . 0.0 112.331 -179.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 16.5 m -99.06 152.79 19.45 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -53.58 -38.97 64.43 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 114.441 1.274 . . . . 0.0 114.441 -178.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -65.1 -41.83 94.57 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 119.288 0.949 . . . . 0.0 111.272 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -55.96 -48.3 76.03 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 48.2 mt -62.39 -47.69 91.86 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -58.79 -43.76 90.54 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 118.405 -0.807 . . . . 0.0 111.586 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -58.99 -49.2 78.78 Favored 'General case' 0 CA--C 1.526 0.054 0 CA-C-N 119.395 0.998 . . . . 0.0 108.876 178.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.83 -41.08 90.56 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 118.791 0.723 . . . . 0.0 110.041 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 20.4 mt -63.22 -55.09 27.87 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 118.401 -0.809 . . . . 0.0 111.164 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 10.0 p -59.93 -43.69 92.83 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-N 119.15 0.886 . . . . 0.0 111.337 -179.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 77.7 mt -65.36 -31.0 51.95 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.47 11.41 7.02 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.347 1.059 . . . . 0.0 111.323 178.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 19.3 m170 63.9 26.57 14.27 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.485 1.514 . . . . 0.0 110.72 -178.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 83.15 5.62 0.84 Allowed 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 131.435 3.894 . . . . 0.0 112.465 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -72.73 107.71 5.33 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.558 -0.714 . . . . 0.0 109.461 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 8.0 tp -61.05 -38.89 80.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 123.987 0.915 . . . . 0.0 113.069 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -68.03 -45.58 73.58 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 119.849 1.204 . . . . 0.0 109.956 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 17.7 ttt -62.84 -44.83 95.1 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.88 -45.81 92.16 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.533 0.733 . . . . 0.0 109.138 178.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -53.96 -38.21 64.75 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 118.082 -0.961 . . . . 0.0 109.731 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 -63.74 -44.66 92.84 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 119.091 0.86 . . . . 0.0 109.415 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 46.0 mt -57.09 -49.71 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 179.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 64.2 mt -73.7 27.32 0.07 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.697 1.999 . . . . 0.0 112.735 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -141.12 -36.61 0.45 Allowed 'General case' 0 C--O 1.235 0.309 0 C-N-CA 126.294 1.837 . . . . 0.0 110.282 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -100.47 -15.26 17.96 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 118.82 0.736 . . . . 0.0 111.978 -179.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -116.83 -75.22 0.58 Allowed 'General case' 0 C--N 1.341 0.22 0 C-N-CA 125.531 1.532 . . . . 0.0 109.629 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 3.5 t . . . . . 0 C--O 1.239 0.501 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 -179.589 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.3 mp . . . . . 0 N--CA 1.452 -0.365 0 CA-C-O 117.882 -1.056 . . . . 0.0 109.533 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.5 m -57.35 -41.34 79.91 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 120.008 1.276 . . . . 0.0 111.005 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.8 m -67.5 -26.18 66.22 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 117.995 0.361 . . . . 0.0 110.48 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -78.94 -30.74 44.82 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 121.221 -0.925 . . . . 0.0 108.97 178.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.15 -42.48 95.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 104.845 -2.28 . . . . 0.0 104.845 177.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -63.32 -37.47 87.4 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.399 0.679 . . . . 0.0 110.036 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -68.17 -35.17 77.63 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.5 mt -69.98 -44.57 69.15 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 123.86 0.864 . . . . 0.0 108.781 178.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.8 mtt -55.1 -33.65 63.0 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.055 0.843 . . . . 0.0 110.273 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.98 -36.57 68.02 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.927 1.291 . . . . 0.0 111.627 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -76.0 -10.8 59.71 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.725 0.81 . . . . 0.0 112.584 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.78 -11.12 38.3 Favored Glycine 0 CA--C 1.526 0.724 0 C-N-CA 125.355 1.455 . . . . 0.0 111.334 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -51.33 127.08 18.72 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 117.893 0.847 . . . . 0.0 109.521 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.5 m -72.17 145.26 48.19 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 121.245 0.545 . . . . 0.0 110.319 -179.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -56.17 -44.88 79.78 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 125.067 1.347 . . . . 0.0 111.229 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -53.94 -45.76 71.36 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 118.149 0.431 . . . . 0.0 109.888 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -65.62 -47.85 74.26 Favored 'General case' 0 CA--C 1.519 -0.231 0 C-N-CA 123.84 0.856 . . . . 0.0 110.551 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.0 mt -56.19 -46.58 81.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-N 118.58 0.627 . . . . 0.0 109.808 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -63.62 -46.07 87.39 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.705 0.802 . . . . 0.0 111.016 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -60.43 -46.79 88.75 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.67 0.668 . . . . 0.0 109.36 179.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.79 -43.53 85.67 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 118.597 -0.716 . . . . 0.0 109.938 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.1 mt -63.1 -51.24 67.35 Favored 'General case' 0 CA--C 1.521 -0.161 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.6 p -61.38 -43.44 96.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-N 118.262 0.483 . . . . 0.0 111.159 -178.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 62.3 mt -71.13 -33.6 51.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 O-C-N 121.767 -0.583 . . . . 0.0 110.175 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.09 9.5 1.95 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.756 0.707 . . . . 0.0 110.892 178.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.1 m170 57.54 50.92 10.32 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.834 1.654 . . . . 0.0 108.454 -178.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.6 m120 53.09 46.4 26.75 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 126.843 2.057 . . . . 0.0 113.027 179.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -121.48 114.6 21.48 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 124.776 1.23 . . . . 0.0 107.94 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.2 tp -65.18 -40.94 90.39 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 124.172 0.989 . . . . 0.0 112.937 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -67.6 -43.21 81.05 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.864 1.211 . . . . 0.0 110.779 -179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 8.2 ttt -65.71 -42.8 90.71 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.96 -39.5 90.46 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.2 0.6 . . . . 0.0 111.258 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -55.42 -44.27 76.08 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -60.85 -41.62 96.21 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-O 118.671 -0.68 . . . . 0.0 110.737 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 69.2 mt -58.36 -51.58 69.6 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.7 mt -64.17 -22.9 67.12 Favored 'General case' 0 C--O 1.224 -0.276 0 C-N-CA 123.053 0.541 . . . . 0.0 111.97 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -78.6 -19.69 52.15 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 119.472 1.033 . . . . 0.0 111.841 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -114.52 -49.2 2.83 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -178.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -83.76 -13.2 54.49 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 119.211 0.914 . . . . 0.0 113.084 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.9 t . . . . . 0 N--CA 1.448 -0.56 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 178.639 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 9.8 mp . . . . . 0 CA--C 1.53 0.182 0 CA-C-O 118.648 -0.691 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 16.4 m -62.09 -37.29 84.52 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 119.655 1.116 . . . . 0.0 108.499 178.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 22.2 m -66.49 -35.65 80.8 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.245 1.018 . . . . 0.0 109.522 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -67.46 -29.9 69.47 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 120.884 -1.135 . . . . 0.0 111.453 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.9 mt -62.8 -41.43 92.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 107.054 -1.462 . . . . 0.0 107.054 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -65.08 -41.4 95.06 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 124.099 0.96 . . . . 0.0 110.203 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 24.8 mtm180 -63.68 -30.36 71.47 Favored 'General case' 0 C--N 1.342 0.269 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 13.5 mt -77.11 -39.85 47.99 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-O 118.144 -0.932 . . . . 0.0 109.13 178.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 38.5 mtt -54.94 -42.15 71.93 Favored 'General case' 0 C--N 1.339 0.142 0 CA-C-N 119.537 1.062 . . . . 0.0 109.352 178.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 32.4 t -56.9 -16.34 6.61 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.661 1.184 . . . . 0.0 112.497 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -95.31 1.89 54.56 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 120.29 1.405 . . . . 0.0 112.876 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.93 -11.69 64.18 Favored Glycine 0 CA--C 1.522 0.513 0 C-N-CA 125.27 1.414 . . . . 0.0 113.102 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -61.06 125.08 22.41 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.64 152.33 42.53 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 123.759 0.823 . . . . 0.0 109.854 -179.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -53.76 -42.35 68.12 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 178.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -62.06 -44.64 96.24 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 118.986 -0.53 . . . . 0.0 111.02 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -56.49 -48.93 76.12 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 124.292 1.037 . . . . 0.0 108.551 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 54.9 mt -60.28 -51.68 70.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 C-N-CA 124.239 1.016 . . . . 0.0 110.48 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -63.99 -40.76 97.1 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.226 0.61 . . . . 0.0 111.644 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -63.62 -41.41 98.28 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 121.345 -0.847 . . . . 0.0 108.932 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.27 -40.37 90.08 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 121.444 -0.785 . . . . 0.0 110.083 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 18.8 mt -62.69 -50.19 72.15 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 118.925 0.784 . . . . 0.0 112.835 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 7.9 p -59.26 -35.66 59.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 118.477 0.58 . . . . 0.0 111.313 -178.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 64.2 mt -79.76 -22.4 12.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 O-C-N 121.648 -0.658 . . . . 0.0 110.762 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.45 16.16 14.17 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 120.685 -1.26 . . . . 0.0 111.523 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 53.5 m170 52.97 44.39 30.49 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 122.334 1.064 . . . . 0.0 109.524 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 4.3 m120 66.67 2.87 2.72 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 127.17 2.188 . . . . 0.0 113.346 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -73.57 110.08 7.58 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 119.967 1.258 . . . . 0.0 109.587 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 5.2 tp -59.18 -47.42 90.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 124.291 1.036 . . . . 0.0 112.524 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -60.34 -48.57 81.19 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 118.913 0.779 . . . . 0.0 110.755 -178.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 18.7 ttt -60.69 -46.7 89.38 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.82 94.49 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.305 0.642 . . . . 0.0 111.605 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -57.36 -40.28 77.75 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.543 0.737 . . . . 0.0 109.971 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -62.47 -40.01 95.26 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 118.766 -0.635 . . . . 0.0 109.818 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 35.5 mt -60.29 -50.88 78.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 179.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 70.4 mt -60.82 -20.18 61.16 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.012 0.925 . . . . 0.0 112.545 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -87.25 -17.3 32.87 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.487 1.04 . . . . 0.0 113.099 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -120.26 -17.83 8.16 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -110.2 -57.22 2.23 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 7.1 t . . . . . 0 CA--C 1.541 0.6 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.829 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.1 mp . . . . . 0 N--CA 1.465 0.324 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.5 m -56.77 -36.72 70.16 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 125.52 1.528 . . . . 0.0 110.168 178.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.9 m -73.41 -22.45 60.23 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 125.681 1.592 . . . . 0.0 111.779 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -81.63 -33.18 31.58 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.106 0.962 . . . . 0.0 108.773 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.543 HD12 HE22 ' A' ' 27' ' ' GLN . 80.9 mt -57.87 -42.09 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 178.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -60.66 -41.35 94.84 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.426 1.09 . . . . 0.0 110.231 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.8 mtm180 -71.72 -29.65 64.78 Favored 'General case' 0 C--N 1.341 0.228 0 O-C-N 121.742 -0.599 . . . . 0.0 110.464 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 26.2 mt -68.05 -34.03 75.68 Favored 'General case' 0 C--N 1.333 -0.142 0 O-C-N 121.407 -0.808 . . . . 0.0 110.255 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 50.8 mtt -60.78 -31.41 70.77 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.733 0.697 . . . . 0.0 109.972 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -67.87 -17.47 64.5 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.99 1.316 . . . . 0.0 111.51 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -93.89 -0.51 55.65 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.64 1.176 . . . . 0.0 110.964 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.8 -5.89 73.24 Favored Glycine 0 CA--C 1.527 0.787 0 CA-C-O 117.26 -1.855 . . . . 0.0 116.257 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -71.51 150.01 45.24 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 120.457 2.128 . . . . 0.0 110.326 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 63.2 m -78.83 160.91 27.13 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 178.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -60.69 -39.67 89.34 Favored 'General case' 0 N--CA 1.456 -0.161 0 O-C-N 121.411 -0.805 . . . . 0.0 109.614 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -60.04 -45.47 92.72 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 118.313 -0.851 . . . . 0.0 110.717 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -58.13 -47.31 83.71 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 60.7 mt -57.26 -53.45 43.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 C-N-CA 122.994 0.518 . . . . 0.0 109.998 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.543 HE22 HD12 ' A' ' 13' ' ' ILE . 82.3 mm-40 -61.07 -55.44 32.55 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 118.75 -0.643 . . . . 0.0 110.992 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -49.33 -42.82 42.81 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 124.092 0.957 . . . . 0.0 111.651 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.16 -41.3 77.42 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-O 119.086 -0.483 . . . . 0.0 110.363 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.4 mt -61.01 -45.93 92.82 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 118.706 -0.664 . . . . 0.0 110.9 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.7 t -59.44 -54.08 39.38 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 118.497 0.59 . . . . 0.0 109.656 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 38.3 mt -62.98 -25.39 38.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-O 119.351 -0.357 . . . . 0.0 110.969 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.22 10.27 15.14 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.734 1.152 . . . . 0.0 111.624 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 14.9 m170 58.71 37.97 25.04 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.523 1.529 . . . . 0.0 110.291 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.1 m120 85.09 -3.32 0.9 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 129.528 3.131 . . . . 0.0 113.362 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 57.2 t-20 -73.79 108.69 6.77 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 120.113 1.324 . . . . 0.0 113.348 -178.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.0 tp -64.8 -39.79 86.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.735 1.214 . . . . 0.0 113.225 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.4 -41.57 89.13 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 125.077 1.351 . . . . 0.0 111.084 -177.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 15.1 ttt -68.29 -48.45 64.95 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 178.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.68 -38.21 74.75 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 123.213 0.605 . . . . 0.0 110.013 178.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.2 mttt -59.58 -47.32 86.01 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 178.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -57.52 -41.13 80.27 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 59.2 mt -58.96 -55.1 25.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 179.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 90.3 mt -60.58 -17.39 46.13 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.66 0.784 . . . . 0.0 112.631 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -87.12 -39.36 15.61 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-O 118.195 -0.907 . . . . 0.0 112.865 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -96.18 -13.24 23.66 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -110.65 -75.83 0.61 Allowed 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 CA--C 1.542 0.667 0 C-N-CA 125.791 1.636 . . . . 0.0 110.074 179.78 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 8.7 mp . . . . . 0 CA--C 1.53 0.211 0 CA-C-O 118.988 -0.53 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 1.4 p -56.13 -49.3 74.31 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.932 0.893 . . . . 0.0 110.665 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 12.0 m -60.35 -32.73 71.54 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.99 0.916 . . . . 0.0 111.112 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -71.25 -36.74 71.89 Favored 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 120.766 -1.209 . . . . 0.0 110.225 -179.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 80.3 mt -64.25 -47.82 88.19 Favored 'Isoleucine or valine' 0 C--N 1.34 0.161 0 N-CA-C 106.395 -1.706 . . . . 0.0 106.395 178.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -60.14 -36.36 77.36 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 48.2 mtm180 -72.68 -31.87 65.38 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.882 0.765 . . . . 0.0 110.411 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 31.6 mt -71.13 -27.84 63.86 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 118.302 -0.856 . . . . 0.0 111.978 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 62.3 mtt -58.58 -37.01 74.89 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.776 1.171 . . . . 0.0 109.72 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 38.7 t -61.59 -30.73 70.87 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.611 1.165 . . . . 0.0 111.128 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -74.14 -7.98 54.53 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 118.185 -0.912 . . . . 0.0 112.942 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.84 -1.03 55.24 Favored Glycine 0 C--N 1.339 0.702 0 C-N-CA 125.357 1.456 . . . . 0.0 113.498 178.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -78.78 121.91 25.36 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 6.6 m -64.96 153.82 39.41 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -54.69 -38.7 67.33 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 121.703 -0.623 . . . . 0.0 112.188 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -57.87 -50.9 71.75 Favored 'General case' 0 C--O 1.223 -0.292 0 C-N-CA 123.304 0.641 . . . . 0.0 110.719 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.38 -46.96 87.23 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 124.608 1.163 . . . . 0.0 110.578 -179.319 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 44.5 mt -58.96 -48.53 86.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -60.9 -55.86 28.01 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.978 0.911 . . . . 0.0 110.595 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -52.62 -40.7 63.0 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 124.601 1.16 . . . . 0.0 110.724 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.84 -34.42 77.9 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 118.572 -0.728 . . . . 0.0 110.586 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 71.1 mt -67.98 -45.28 74.61 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 119.995 1.27 . . . . 0.0 111.112 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 22.4 t -53.54 -41.02 44.16 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-O 121.521 0.677 . . . . 0.0 110.088 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 27.4 mt -84.45 -37.01 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 C-N-CA 124.6 1.16 . . . . 0.0 112.527 -178.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.43 0.45 25.73 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.813 1.188 . . . . 0.0 112.227 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 26.6 m170 61.02 53.68 3.61 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 125.806 1.642 . . . . 0.0 107.52 -178.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 57.51 14.25 2.21 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 129.109 2.964 . . . . 0.0 113.624 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -77.72 105.86 9.16 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 5.8 tp -58.66 -45.1 90.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 C-N-CA 123.584 0.754 . . . . 0.0 111.147 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -62.33 -50.85 69.98 Favored 'General case' 0 C--N 1.335 -0.045 0 CA-C-N 119.497 1.044 . . . . 0.0 111.79 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 17.4 ttt -58.35 -45.45 88.15 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 124.18 0.992 . . . . 0.0 108.388 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.99 97.8 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 123.12 0.568 . . . . 0.0 110.096 179.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 56.4 mttt -61.61 -38.2 86.74 Favored 'General case' 0 CA--C 1.517 -0.325 0 O-C-N 121.597 -0.689 . . . . 0.0 110.626 179.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -62.55 -38.7 91.06 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.705 0.802 . . . . 0.0 109.094 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 86.9 mt -60.28 -48.54 87.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 47.8 mt -71.98 14.58 0.2 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.957 1.303 . . . . 0.0 111.76 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -131.5 10.33 4.78 Favored 'General case' 0 N--CA 1.462 0.157 0 O-C-N 120.435 -1.416 . . . . 0.0 112.028 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -137.46 -47.34 0.56 Allowed 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 126.475 1.91 . . . . 0.0 108.721 179.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -87.87 -80.05 0.28 Allowed 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 107.713 -1.218 . . . . 0.0 107.713 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 58.1 m . . . . . 0 CA--C 1.536 0.405 0 C-N-CA 123.612 0.765 . . . . 0.0 110.866 179.447 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 tp . . . . . 0 N--CA 1.469 0.522 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.4 p -63.03 -10.65 14.9 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.9 m -66.39 -31.48 72.28 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 177.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -76.25 -24.15 54.53 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.045 0.938 . . . . 0.0 110.841 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.37 -42.93 97.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -62.68 -30.27 71.27 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.316 0.647 . . . . 0.0 109.884 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -79.05 -34.16 44.03 Favored 'General case' 0 N--CA 1.462 0.138 0 O-C-N 121.176 -0.953 . . . . 0.0 109.202 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.6 mt -71.12 -29.08 64.81 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 118.369 -0.824 . . . . 0.0 110.208 179.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 35.7 mtt -58.36 -44.7 88.95 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.4 t -62.12 -23.87 66.8 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.508 1.123 . . . . 0.0 111.411 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -75.17 -3.91 35.73 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 120.198 1.363 . . . . 0.0 111.01 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.62 0.3 60.87 Favored Glycine 0 C--N 1.336 0.529 0 C-N-CA 124.942 1.258 . . . . 0.0 112.984 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -81.17 130.97 35.26 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 118.627 1.213 . . . . 0.0 108.074 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.5 m -70.69 154.3 41.99 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 178.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -53.52 -35.2 60.41 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 124.265 1.026 . . . . 0.0 111.576 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -60.29 -53.8 53.3 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.461 1.104 . . . . 0.0 109.45 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.94 -51.34 70.06 Favored 'General case' 0 N--CA 1.462 0.136 0 C-N-CA 124.526 1.13 . . . . 0.0 109.035 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.6 mt -55.01 -49.06 74.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 C-N-CA 122.834 0.454 . . . . 0.0 110.167 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.5 mm100 -60.51 -55.1 37.54 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 118.607 -0.711 . . . . 0.0 109.959 179.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -49.9 -44.94 50.35 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 119.056 0.844 . . . . 0.0 110.987 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.8 -40.71 96.16 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 118.891 -0.576 . . . . 0.0 110.154 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.6 mt -64.05 -52.42 59.5 Favored 'General case' 0 C--O 1.226 -0.146 0 CA-C-N 118.814 0.734 . . . . 0.0 110.031 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.2 t -56.17 -44.72 79.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 118.695 0.68 . . . . 0.0 111.48 -179.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 72.8 mt -73.01 -26.95 23.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 O-C-N 121.42 -0.8 . . . . 0.0 111.151 -179.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.96 12.62 19.05 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 120.928 -1.107 . . . . 0.0 111.251 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 55.6 m170 53.37 48.96 20.75 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 123.469 1.604 . . . . 0.0 109.694 -178.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.8 m120 60.26 9.64 2.02 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 129.76 3.224 . . . . 0.0 113.772 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 64.0 t-20 -72.28 100.49 2.63 Favored 'General case' 0 CA--C 1.528 0.097 0 CA-C-N 119.354 0.979 . . . . 0.0 108.558 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.9 tp -59.14 -34.95 54.99 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 118.46 0.573 . . . . 0.0 111.862 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -64.64 -40.13 94.91 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 119.561 1.073 . . . . 0.0 111.657 -178.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 23.8 ttt -77.2 -43.39 33.85 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 126.713 2.005 . . . . 0.0 108.274 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.45 -43.77 88.97 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.81 0.844 . . . . 0.0 109.803 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -58.71 -34.87 71.8 Favored 'General case' 0 N--CA 1.462 0.171 0 O-C-N 121.579 -0.701 . . . . 0.0 111.109 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -64.93 -43.97 91.0 Favored 'General case' 0 C--O 1.227 -0.09 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 69.3 mt -54.34 -53.71 27.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 179.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.52 -15.26 49.49 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -107.66 -10.22 15.69 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 120.039 1.291 . . . . 0.0 114.114 -178.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -102.38 -35.02 8.96 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 124.143 0.977 . . . . 0.0 109.442 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -103.88 -76.57 0.59 Allowed 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.935 0.894 . . . . 0.0 110.135 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 CA--C 1.54 0.584 0 C-N-CA 126.426 1.89 . . . . 0.0 112.236 -179.786 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 8.7 tp . . . . . 0 CA--C 1.531 0.248 0 N-CA-C 112.719 0.636 . . . . 0.0 112.719 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 2.0 p -70.13 -25.2 63.37 Favored 'General case' 0 N--CA 1.456 -0.174 0 O-C-N 121.048 -1.033 . . . . 0.0 111.372 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -62.25 -20.01 63.81 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.841 0.746 . . . . 0.0 112.284 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -85.7 -23.45 27.39 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.155 1.382 . . . . 0.0 111.022 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 89.5 mt -61.12 -47.29 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -60.86 -29.6 69.62 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.628 1.171 . . . . 0.0 111.606 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -69.49 -43.83 72.35 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 20.8 mt -66.5 -27.64 67.93 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.731 0.812 . . . . 0.0 111.233 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 33.9 mtt -61.49 -43.17 99.34 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 178.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 9.5 t -72.36 -21.29 61.32 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 122.161 -0.337 . . . . 0.0 110.775 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -74.03 -3.21 27.93 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 120.964 -1.085 . . . . 0.0 110.901 178.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.45 -0.4 59.81 Favored Glycine 0 C--N 1.339 0.703 0 C-N-CA 125.076 1.322 . . . . 0.0 114.246 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -81.9 135.04 35.44 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 118.816 1.308 . . . . 0.0 109.936 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 47.1 m -75.74 152.56 37.39 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.011 -0.736 . . . . 0.0 109.011 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -50.16 -42.65 51.37 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 19.3 mp0 -59.03 -53.52 57.51 Favored 'General case' 0 C--O 1.226 -0.133 0 C-N-CA 123.205 0.602 . . . . 0.0 110.169 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.4 -47.16 76.3 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 124.874 1.27 . . . . 0.0 109.043 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 70.8 mt -58.34 -52.0 64.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 122.946 0.498 . . . . 0.0 109.951 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 -62.46 -42.04 99.19 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 119.155 -0.45 . . . . 0.0 111.577 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -59.17 -47.51 85.04 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 123.296 0.639 . . . . 0.0 109.661 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.37 -40.56 94.76 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 120.472 -0.491 . . . . 0.0 109.821 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 12.0 mt -63.0 -54.41 38.66 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 118.672 -0.68 . . . . 0.0 112.129 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 8.3 p -58.78 -47.03 90.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 118.297 0.499 . . . . 0.0 111.846 -178.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 54.4 mt -64.09 -32.72 58.46 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-O 119.25 -0.405 . . . . 0.0 110.385 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.15 8.03 14.32 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.806 0.73 . . . . 0.0 111.668 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 3.7 m170 56.7 53.57 8.22 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.981 1.712 . . . . 0.0 107.524 -178.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 12.0 m120 67.26 -2.53 1.21 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 128.146 2.579 . . . . 0.0 113.514 -179.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -67.33 104.14 1.43 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 120.545 1.52 . . . . 0.0 110.946 -178.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 4.8 tp -56.36 -43.39 77.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 C-N-CA 125.284 1.433 . . . . 0.0 113.66 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -67.35 -49.48 63.87 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 125.096 1.358 . . . . 0.0 110.318 -178.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 14.3 ttt -61.21 -43.49 98.79 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.87 1.268 . . . . 0.0 108.069 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.68 -43.43 98.83 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.172 0.989 . . . . 0.0 109.935 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -58.69 -39.21 80.08 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 121.426 -0.796 . . . . 0.0 109.069 178.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -61.05 -40.16 92.58 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 118.556 0.616 . . . . 0.0 109.503 179.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 68.0 mt -59.25 -52.23 63.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 178.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 97.5 mt -61.52 -23.23 65.79 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.417 0.687 . . . . 0.0 112.268 179.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -81.24 -42.1 21.24 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 117.635 -1.174 . . . . 0.0 112.24 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -94.29 -15.5 24.42 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 -178.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -113.95 -69.0 0.89 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 119.597 1.089 . . . . 0.0 111.525 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 CA--C 1.537 0.47 0 C-N-CA 123.972 0.909 . . . . 0.0 111.081 -179.06 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.8 mp . . . . . 0 CA--C 1.523 -0.083 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.8 m -54.12 -43.05 70.13 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 119.533 1.061 . . . . 0.0 110.611 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.9 m -62.68 -27.01 68.95 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.149 0.98 . . . . 0.0 111.389 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -82.1 -27.85 32.63 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.052 0.941 . . . . 0.0 110.271 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 74.5 mt -62.27 -44.81 99.57 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 N-CA-C 105.047 -2.205 . . . . 0.0 105.047 178.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -61.69 -35.48 78.11 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.336 -0.853 . . . . 0.0 110.66 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.6 mmp_? -64.0 -46.15 85.8 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.6 mt -66.23 -36.31 82.69 Favored 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 124.928 1.291 . . . . 0.0 111.483 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 49.9 mtt -58.33 -29.84 66.23 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 119.262 0.937 . . . . 0.0 110.398 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -72.64 6.3 2.55 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.547 1.939 . . . . 0.0 113.271 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -115.74 -3.09 12.28 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 126.103 1.761 . . . . 0.0 111.861 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.8 -15.36 55.65 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 125.004 1.288 . . . . 0.0 112.548 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -64.63 119.99 11.56 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 119.187 1.494 . . . . 0.0 109.691 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 59.3 m -71.42 158.98 35.33 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -51.6 -40.24 59.48 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 121.668 -0.645 . . . . 0.0 112.218 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -49.72 -58.97 4.27 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.514 1.126 . . . . 0.0 110.536 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.23 -47.14 87.45 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 126.228 1.811 . . . . 0.0 110.378 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 60.7 mt -56.52 -47.64 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 119.255 0.934 . . . . 0.0 110.325 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -63.69 -52.43 60.67 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-O 117.566 -1.207 . . . . 0.0 109.34 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -50.23 -41.83 50.72 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.257 1.39 . . . . 0.0 110.725 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.54 -50.14 66.31 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.232 0.613 . . . . 0.0 109.941 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.4 mt -60.92 -45.85 93.01 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 118.812 0.733 . . . . 0.0 111.37 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.3 t -56.21 -55.32 19.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 C-N-CA 126.739 2.016 . . . . 0.0 109.451 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.9 mt -67.53 -22.46 28.66 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.868 0 O-C-N 121.689 -0.632 . . . . 0.0 110.206 -178.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.0 9.07 29.34 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 125.225 1.41 . . . . 0.0 113.086 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 18.8 m170 56.23 40.09 30.07 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 118.652 0.66 . . . . 0.0 109.34 -178.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 66.25 24.88 10.64 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 127.129 2.172 . . . . 0.0 114.632 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -92.05 109.78 21.14 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 177.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.9 tp -68.44 -39.98 81.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-O 118.631 -0.699 . . . . 0.0 112.141 -179.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -57.09 -44.36 83.09 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 119.218 0.917 . . . . 0.0 109.684 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.5 ttt -65.79 -54.92 20.59 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 126.632 1.973 . . . . 0.0 109.003 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.95 -40.34 69.85 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.013 0.525 . . . . 0.0 111.616 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.0 mttm -58.67 -44.13 90.11 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 117.879 -1.057 . . . . 0.0 110.522 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -64.73 -43.6 92.84 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 118.829 0.741 . . . . 0.0 110.152 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 71.4 mt -58.37 -50.9 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 82.0 mt -61.87 -43.12 99.49 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 54.3 ttt85 -63.57 -35.35 80.2 Favored 'General case' 0 C--O 1.226 -0.184 0 CA-C-O 118.118 -0.944 . . . . 0.0 111.924 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -85.55 -69.2 0.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 119.721 1.146 . . . . 0.0 112.78 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -65.43 -51.14 62.36 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 125.099 1.36 . . . . 0.0 114.631 -177.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 CA--C 1.539 0.549 0 C-N-CA 125.227 1.411 . . . . 0.0 111.815 -178.633 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mp . . . . . 0 N--CA 1.466 0.339 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 51.1 m -59.25 -42.72 91.79 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 119.975 1.262 . . . . 0.0 111.89 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 9.9 m -63.07 -20.46 65.36 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.137 0.575 . . . . 0.0 111.545 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -88.06 -29.38 20.7 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 123.618 0.767 . . . . 0.0 109.03 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 88.8 mt -65.62 -43.95 93.8 Favored 'Isoleucine or valine' 0 C--N 1.345 0.397 0 N-CA-C 104.184 -2.524 . . . . 0.0 104.184 177.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -56.82 -45.29 82.38 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.425 1.09 . . . . 0.0 109.158 178.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 8.1 mmp_? -61.62 -44.75 96.4 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 21.8 mt -65.49 -29.78 70.48 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.502 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 7.6 mtt -62.76 -42.75 99.83 Favored 'General case' 0 C--N 1.34 0.16 0 CA-C-N 120.361 1.437 . . . . 0.0 108.279 178.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 29.9 t -58.33 -26.11 62.71 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.657 0.783 . . . . 0.0 110.99 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -68.43 -13.39 62.27 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 119.922 -1.736 . . . . 0.0 110.451 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.35 -3.39 56.58 Favored Glycine 0 CA--C 1.526 0.771 0 C-N-CA 126.423 1.963 . . . . 0.0 114.27 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -69.56 165.07 21.86 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 118.927 1.363 . . . . 0.0 112.443 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 66.5 m -80.9 151.84 28.4 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.638 1.575 . . . . 0.0 109.603 178.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -58.09 -45.36 87.29 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 119.324 0.965 . . . . 0.0 110.659 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -55.08 -51.09 67.48 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 124.723 1.209 . . . . 0.0 111.302 -179.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.82 -37.22 73.41 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.937 0.895 . . . . 0.0 110.634 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 75.3 mt -63.3 -48.71 86.11 Favored 'Isoleucine or valine' 0 C--O 1.231 0.082 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -62.52 -45.31 93.58 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-O 119.054 -0.498 . . . . 0.0 110.494 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -58.53 -48.06 82.12 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 123.338 0.655 . . . . 0.0 109.995 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.23 -38.69 91.19 Favored 'General case' 0 C--O 1.226 -0.136 0 CA-C-N 118.984 0.811 . . . . 0.0 110.463 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 19.2 mt -62.0 -52.41 64.09 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 118.349 -0.834 . . . . 0.0 110.814 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 11.1 p -60.46 -48.22 89.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-N 118.761 0.71 . . . . 0.0 111.368 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 56.8 mt -63.31 -31.02 51.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 CA-C-N 118.868 0.758 . . . . 0.0 109.583 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.31 7.9 10.4 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.305 1.042 . . . . 0.0 111.566 178.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 58.5 m170 55.16 43.61 29.15 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.052 1.341 . . . . 0.0 107.881 -177.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 67.2 8.91 6.55 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 129.127 2.971 . . . . 0.0 113.664 -178.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -74.64 106.28 6.14 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 121.159 1.8 . . . . 0.0 106.749 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 8.8 tp -59.89 -39.71 80.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 124.3 1.04 . . . . 0.0 113.045 -179.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -68.97 -45.06 71.62 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 119.258 0.936 . . . . 0.0 109.09 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 11.4 ttt -59.69 -46.49 88.92 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 178.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.08 97.17 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -56.0 -37.46 69.17 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-O 117.973 -1.013 . . . . 0.0 108.933 178.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -66.28 -51.24 59.42 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.585 1.084 . . . . 0.0 108.341 178.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 65.3 mt -50.01 -52.78 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-O 121.972 0.892 . . . . 0.0 108.742 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 76.5 mt -65.51 -35.36 80.63 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 124.859 1.264 . . . . 0.0 114.179 -178.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 33.1 ttt85 -71.02 -27.04 63.39 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 120.525 1.512 . . . . 0.0 112.648 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -91.88 -78.66 0.4 Allowed 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -57.73 -61.06 2.79 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 125.823 1.649 . . . . 0.0 114.506 -178.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 4.0 t . . . . . 0 CA--C 1.543 0.685 0 CA-C-N 118.822 0.737 . . . . 0.0 110.494 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.6 tp . . . . . 0 N--CA 1.47 0.535 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 61.6 m -57.12 -28.7 62.92 Favored 'General case' 0 C--N 1.342 0.276 0 C-N-CA 124.567 1.147 . . . . 0.0 110.829 178.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.6 -8.92 4.97 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 125.935 1.694 . . . . 0.0 113.17 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -111.46 -25.87 9.38 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.131 1.772 . . . . 0.0 108.918 178.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 59.0 mt -67.57 -45.41 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 N-CA-C 105.416 -2.068 . . . . 0.0 105.416 177.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -59.71 -28.84 67.67 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.593 0.757 . . . . 0.0 111.353 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -75.76 -38.49 58.33 Favored 'General case' 0 CA--C 1.513 -0.48 0 C-N-CA 123.85 0.86 . . . . 0.0 110.485 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.3 mt -62.15 -38.72 90.07 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 41.4 mtt -60.18 -29.02 68.42 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 118.322 0.51 . . . . 0.0 111.195 179.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 t -61.7 -44.29 97.21 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 124.717 1.207 . . . . 0.0 111.466 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -67.1 -22.88 65.8 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 117.914 -1.041 . . . . 0.0 112.549 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 125.28 13.37 3.56 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 124.56 1.076 . . . . 0.0 113.171 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -83.36 177.07 8.66 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 119.234 1.517 . . . . 0.0 110.623 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.1 t -127.56 152.42 47.64 Favored 'General case' 0 CA--C 1.518 -0.281 0 O-C-N 121.42 -0.8 . . . . 0.0 110.977 -178.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -53.48 -37.72 62.97 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 122.891 0.477 . . . . 0.0 111.414 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -60.63 -61.91 2.25 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 118.495 0.589 . . . . 0.0 110.867 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -56.51 -46.9 80.3 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 123.667 0.787 . . . . 0.0 109.732 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.4 mt -54.37 -48.64 68.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-N 119.972 1.26 . . . . 0.0 110.044 179.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -64.83 -39.13 93.08 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 118.462 -0.78 . . . . 0.0 112.035 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -61.54 -42.74 99.28 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 178.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.47 -44.08 88.29 Favored 'General case' 0 C--O 1.226 -0.174 0 O-C-N 121.461 -0.774 . . . . 0.0 109.85 179.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.2 mt -62.2 -32.34 72.98 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 118.014 -0.993 . . . . 0.0 113.393 -179.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.7 p -76.9 -47.33 27.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.145 0 CA-C-N 119.891 1.223 . . . . 0.0 109.747 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 76.4 mt -64.85 -32.73 59.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.49 6.07 9.38 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.968 0.907 . . . . 0.0 111.638 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.9 m170 55.78 51.37 12.47 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.725 1.61 . . . . 0.0 109.473 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.3 m120 64.22 14.38 8.61 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 127.582 2.353 . . . . 0.0 113.363 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -85.69 103.97 14.99 Favored 'General case' 0 C--O 1.232 0.154 0 O-C-N 120.469 -1.394 . . . . 0.0 109.062 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.4 tp -61.55 -37.81 78.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 123.888 0.875 . . . . 0.0 111.876 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -65.93 -51.76 55.73 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 119.475 1.034 . . . . 0.0 109.105 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.4 ' HE2' ' HA ' ' B' ' 33' ' ' ALA . 6.1 ttt -57.66 -47.2 82.95 Favored 'General case' 0 C--N 1.334 -0.072 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 179.302 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.56 -45.09 92.84 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 122.96 0.504 . . . . 0.0 110.353 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.4 mttm -57.42 -37.58 72.98 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 119.574 1.079 . . . . 0.0 109.935 179.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -65.1 -43.86 90.7 Favored 'General case' 0 C--O 1.226 -0.161 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 178.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 82.8 mt -58.92 -53.28 49.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 22.5 mt -57.6 -29.11 64.22 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.069 0.947 . . . . 0.0 110.428 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -78.11 -63.4 1.4 Allowed 'General case' 0 C--O 1.224 -0.255 0 O-C-N 120.964 -1.085 . . . . 0.0 111.224 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -64.8 -27.34 68.82 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 -177.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -108.31 -53.91 2.57 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 119.141 0.882 . . . . 0.0 113.376 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.451 -0.402 0 C-N-CA 120.401 -0.52 . . . . 0.0 111.486 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 mp . . . . . 0 N--CA 1.465 0.314 0 CA-C-O 118.823 -0.608 . . . . 0.0 111.331 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 40.2 m -60.4 -24.75 65.39 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.025 0.83 . . . . 0.0 110.782 178.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 19.9 m -61.06 -34.6 75.15 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 121.092 -1.005 . . . . 0.0 110.783 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -80.73 -24.98 38.37 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.55 -0.718 . . . . 0.0 110.47 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 57.5 mt -61.97 -44.63 99.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 N-CA-C 105.55 -2.018 . . . . 0.0 105.55 178.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -65.38 -32.42 74.04 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.56 -0.712 . . . . 0.0 111.592 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -69.05 -37.25 78.46 Favored 'General case' 0 C--O 1.232 0.177 0 O-C-N 121.14 -0.975 . . . . 0.0 108.618 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 14.4 mt -68.03 -45.19 74.67 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 43.8 mtt -49.88 -36.71 28.21 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.921 0.888 . . . . 0.0 111.812 179.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -55.22 -27.98 49.93 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.04 1.736 . . . . 0.0 112.85 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -78.9 -8.17 58.62 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.666 1.186 . . . . 0.0 112.057 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.85 11.97 29.06 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.387 1.47 . . . . 0.0 110.255 -178.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -80.58 162.44 24.27 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-N 118.743 1.272 . . . . 0.0 108.862 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 29.2 t -117.65 155.39 29.98 Favored 'General case' 0 CA--C 1.52 -0.186 0 C-N-CA 124.001 0.92 . . . . 0.0 109.59 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -53.49 -36.5 61.76 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.42 1.088 . . . . 0.0 110.34 178.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -57.95 -57.75 11.42 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 122.791 0.436 . . . . 0.0 110.992 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -64.62 -45.14 88.17 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.271 1.029 . . . . 0.0 111.06 -179.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 35.4 mt -55.09 -48.81 75.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 CA-C-N 119.513 1.051 . . . . 0.0 109.48 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -65.79 -45.86 80.85 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.634 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -54.56 -35.19 62.99 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 120.195 1.361 . . . . 0.0 111.335 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.39 -48.57 40.42 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 18.6 mt -53.63 -44.87 69.9 Favored 'General case' 0 C--N 1.338 0.099 0 CA-C-O 118.357 -0.83 . . . . 0.0 110.776 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 93.5 t -55.04 -50.53 62.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 123.804 0.841 . . . . 0.0 110.767 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 40.5 mt -68.5 -31.1 49.79 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 C-N-CA 123.781 0.833 . . . . 0.0 110.409 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . 0.4 ' HA ' ' HE2' ' A' ' 39' ' ' MET . . . -83.13 14.07 3.69 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-O 117.816 -1.088 . . . . 0.0 111.772 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 27.0 m170 55.2 39.24 31.34 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 120.848 1.658 . . . . 0.0 109.303 -178.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 m120 64.79 10.66 6.25 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 127.95 2.5 . . . . 0.0 112.321 -179.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -72.53 104.52 3.87 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 6.4 tp -63.61 -38.12 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 O-C-N 121.645 -0.659 . . . . 0.0 112.356 -179.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -62.37 -49.28 76.16 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 119.074 0.852 . . . . 0.0 109.379 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 8.9 ttt -62.31 -48.45 79.81 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.61 -43.47 84.78 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 121.702 -0.623 . . . . 0.0 110.841 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -56.64 -35.82 68.8 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.593 0.757 . . . . 0.0 109.464 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -67.75 -47.58 68.83 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 26.3 mt -54.52 -58.15 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.006 0.923 . . . . 0.0 108.573 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 15.2 mt -53.72 -41.99 67.62 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 126.87 2.068 . . . . 0.0 110.919 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 54.5 ttt180 -62.38 -40.95 98.13 Favored 'General case' 0 C--O 1.227 -0.105 0 CA-C-N 119.138 0.881 . . . . 0.0 112.079 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -87.95 -58.26 2.63 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 -178.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -72.83 -21.66 60.92 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 116.043 1.868 . . . . 0.0 116.043 -177.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 CA--C 1.536 0.442 0 CA-C-N 118.74 0.7 . . . . 0.0 111.52 -178.87 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.9 mp . . . . . 0 CA--C 1.532 0.27 0 CA-C-O 119.194 -0.431 . . . . 0.0 111.592 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.6 m -51.75 -49.63 62.21 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 125.32 1.448 . . . . 0.0 112.495 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.4 m -70.92 -18.19 62.66 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -179.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -81.71 -30.05 32.73 Favored 'General case' 0 N--CA 1.458 -0.053 0 O-C-N 121.18 -0.95 . . . . 0.0 110.252 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.2 mt -62.37 -40.1 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 N-CA-C 105.516 -2.031 . . . . 0.0 105.516 178.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -59.73 -48.4 81.84 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 53.5 mtm180 -65.39 -23.01 66.86 Favored 'General case' 0 C--N 1.342 0.262 0 O-C-N 121.819 -0.551 . . . . 0.0 111.545 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 26.1 mt -76.83 -33.98 57.91 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 119.848 1.204 . . . . 0.0 108.303 178.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 30.3 mtt -62.01 -33.96 75.32 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 108.199 -1.038 . . . . 0.0 108.199 178.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.2 m -60.14 -39.85 87.77 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.154 1.382 . . . . 0.0 109.725 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -69.67 -8.78 50.68 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.213 1.005 . . . . 0.0 111.86 178.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.54 -6.94 45.73 Favored Glycine 0 CA--C 1.524 0.625 0 C-N-CA 125.58 1.562 . . . . 0.0 114.435 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -62.57 143.09 57.64 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -178.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.8 m -81.64 146.22 30.18 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.265 1.426 . . . . 0.0 107.614 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -54.0 -45.13 71.38 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.445 1.098 . . . . 0.0 111.082 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -57.96 -54.32 48.23 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 123.264 0.626 . . . . 0.0 109.601 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -56.04 -44.97 79.31 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.07 0.548 . . . . 0.0 110.188 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 60.5 mt -58.76 -56.51 16.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 O-C-N 121.168 -0.958 . . . . 0.0 109.755 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -56.46 -45.71 80.71 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 118.707 -0.663 . . . . 0.0 111.874 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -60.96 -42.59 98.57 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.082 0.953 . . . . 0.0 109.597 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.25 -45.55 84.13 Favored 'General case' 0 CA--C 1.528 0.125 0 O-C-N 121.169 -0.957 . . . . 0.0 110.546 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 47.6 mt -61.35 -46.99 87.94 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 114.471 1.285 . . . . 0.0 114.471 -178.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.8 p -61.9 -45.89 97.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 118.109 0.413 . . . . 0.0 109.946 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 87.2 mt -67.27 -37.93 79.99 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 O-C-N 121.942 -0.474 . . . . 0.0 110.2 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.63 2.83 4.62 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 118.585 -0.722 . . . . 0.0 111.817 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 32.8 m170 58.4 59.64 2.91 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.482 1.913 . . . . 0.0 108.7 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 52.29 40.61 29.48 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 126.337 1.855 . . . . 0.0 112.605 178.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -115.98 99.29 7.16 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.6 tp -60.71 -36.22 69.4 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.164 0 C-N-CA 124.525 1.13 . . . . 0.0 111.756 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -67.61 -50.9 55.86 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 123.827 0.851 . . . . 0.0 109.187 -179.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 17.7 ttt -61.06 -46.36 91.0 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.45 -36.71 83.32 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 121.324 -0.86 . . . . 0.0 111.152 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -61.42 -34.09 74.8 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.427 1.012 . . . . 0.0 109.349 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -65.07 -50.81 64.7 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 178.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 53.1 mt -54.3 -56.2 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 C-N-CA 123.992 0.917 . . . . 0.0 109.18 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.0 mt -55.01 -25.35 29.55 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.994 0.917 . . . . 0.0 112.934 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -91.26 -49.03 6.58 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 120.764 1.62 . . . . 0.0 110.35 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -67.77 -28.54 67.7 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 117.952 -1.023 . . . . 0.0 113.47 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -112.73 -21.98 10.94 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.1 m . . . . . 0 CA--C 1.538 0.484 0 CA-C-N 119.487 1.04 . . . . 0.0 112.766 -179.208 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 7.4 mp . . . . . 0 C--O 1.226 -0.174 0 N-CA-C 113.229 0.826 . . . . 0.0 113.229 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 1.8 p -56.73 -59.2 5.37 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 124.584 1.153 . . . . 0.0 110.297 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 18.0 m -61.43 -21.34 64.04 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 122.848 0.459 . . . . 0.0 111.669 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -75.48 -26.6 58.32 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 120.695 -1.253 . . . . 0.0 110.802 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 77.9 mt -66.57 -45.08 89.58 Favored 'Isoleucine or valine' 0 C--N 1.341 0.238 0 N-CA-C 104.36 -2.459 . . . . 0.0 104.36 177.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -61.49 -40.18 93.63 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.911 0.885 . . . . 0.0 108.913 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 32.7 mtm180 -64.98 -33.0 74.99 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 119.133 0.879 . . . . 0.0 109.958 178.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 23.1 mt -70.27 -35.87 74.03 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 118.966 0.803 . . . . 0.0 108.997 178.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 53.9 mtt -56.12 -32.0 63.82 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 118.725 0.693 . . . . 0.0 110.904 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 6.4 m -60.7 -28.62 68.77 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.93 0.892 . . . . 0.0 111.84 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -80.77 -10.29 59.74 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 118.886 0.766 . . . . 0.0 110.719 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.05 3.63 48.39 Favored Glycine 0 CA--C 1.524 0.597 0 C-N-CA 124.883 1.23 . . . . 0.0 112.604 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -65.43 155.34 35.8 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 119.908 1.854 . . . . 0.0 110.189 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 30.8 t -92.25 143.04 26.82 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.727 1.611 . . . . 0.0 108.286 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -55.66 -39.18 70.57 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.754 0.822 . . . . 0.0 110.334 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -60.92 -51.64 68.4 Favored 'General case' 0 C--N 1.339 0.142 0 C-N-CA 122.744 0.418 . . . . 0.0 110.996 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -61.91 -42.01 98.58 Favored 'General case' 0 N--CA 1.46 0.063 0 CA-C-N 117.923 0.329 . . . . 0.0 110.247 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 39.8 mt -61.02 -47.73 92.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-N 118.717 0.689 . . . . 0.0 109.448 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -60.07 -54.45 45.77 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.264 0.626 . . . . 0.0 109.342 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -53.47 -35.65 60.77 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 121.598 -0.688 . . . . 0.0 110.934 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.4 -52.17 29.56 Favored 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 123.696 0.799 . . . . 0.0 109.623 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 24.4 mt -53.95 -46.13 71.48 Favored 'General case' 0 CA--C 1.52 -0.207 0 C-N-CA 124.304 1.042 . . . . 0.0 111.632 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 93.1 t -55.53 -56.84 9.86 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 124.1 0.96 . . . . 0.0 109.458 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 53.0 mt -64.43 -26.44 40.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 C-N-CA 123.905 0.882 . . . . 0.0 111.384 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.42 7.42 25.88 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.571 1.148 . . . . 0.0 111.267 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 19.0 m170 55.12 50.14 15.9 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.764 1.226 . . . . 0.0 109.951 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 54.5 52.7 11.89 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 125.984 1.714 . . . . 0.0 111.275 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -123.71 110.71 15.29 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.636 1.174 . . . . 0.0 108.528 178.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 4.1 tp -63.95 -42.94 97.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 C-N-CA 125.374 1.47 . . . . 0.0 112.186 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -68.38 -40.26 81.47 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 124.491 1.117 . . . . 0.0 111.048 -178.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 13.7 ttt -69.89 -46.27 65.82 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 106.776 -1.564 . . . . 0.0 106.776 178.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.57 -39.71 84.98 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.072 0.549 . . . . 0.0 110.672 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -55.71 -46.45 77.71 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.244 1.018 . . . . 0.0 108.753 178.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -57.82 -47.28 83.08 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 119.116 -0.468 . . . . 0.0 109.775 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 20.8 mt -57.46 -54.12 35.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 95.5 mt -60.93 -14.49 22.86 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.41 1.084 . . . . 0.0 112.63 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -95.16 -33.74 12.52 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 120.494 1.497 . . . . 0.0 110.178 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -89.72 -39.81 12.92 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -92.9 -74.92 0.51 Allowed 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 124.334 1.054 . . . . 0.0 109.062 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 CA--C 1.54 0.56 0 C-N-CA 124.03 0.932 . . . . 0.0 112.684 179.398 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 CA--C 1.532 0.271 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.2 m -62.34 -43.27 99.22 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.362 0.665 . . . . 0.0 110.532 178.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.6 m -75.67 -26.54 57.73 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 118.664 -0.684 . . . . 0.0 110.056 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -65.0 -35.75 82.19 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.58 1.082 . . . . 0.0 108.359 178.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.1 mt -61.82 -41.22 89.86 Favored 'Isoleucine or valine' 0 C--N 1.34 0.172 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 178.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -64.01 -33.44 75.75 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -66.39 -34.76 78.68 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.74 1.154 . . . . 0.0 108.573 177.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.5 mt -69.41 -33.06 72.45 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 118.491 -0.766 . . . . 0.0 109.105 178.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 64.6 mtt -60.8 -35.37 76.3 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 177.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.0 m -66.4 4.95 0.64 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.661 1.584 . . . . 0.0 112.92 179.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -121.35 1.0 10.15 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 126.601 1.96 . . . . 0.0 110.037 178.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.28 -6.61 66.1 Favored Glycine 0 CA--C 1.526 0.737 0 C-N-CA 126.44 1.971 . . . . 0.0 116.078 178.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -70.98 127.41 32.49 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 119.857 1.828 . . . . 0.0 110.779 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.1 m -68.76 145.86 53.43 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.264 0.626 . . . . 0.0 109.347 179.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -55.42 -40.65 71.74 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.657 0.783 . . . . 0.0 113.053 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.4 mp0 -54.18 -47.02 72.5 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.463 1.105 . . . . 0.0 110.187 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -70.26 -47.31 61.83 Favored 'General case' 0 CA--C 1.519 -0.231 0 C-N-CA 126.375 1.87 . . . . 0.0 110.32 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.2 mt -53.92 -46.75 64.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -57.04 -49.85 74.55 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 117.733 -1.127 . . . . 0.0 110.359 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -51.57 -40.89 60.63 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 120.139 1.336 . . . . 0.0 110.861 179.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.03 -47.94 72.75 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-O 118.682 -0.675 . . . . 0.0 110.062 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.97 -44.99 91.61 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 119.145 0.884 . . . . 0.0 110.775 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.8 t -55.15 -55.94 13.8 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 C-N-CA 124.806 1.243 . . . . 0.0 109.769 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.4 mt -67.88 -27.36 37.49 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 123.46 0.704 . . . . 0.0 111.231 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.55 0.44 42.68 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 120.69 -1.256 . . . . 0.0 110.779 178.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 20.1 m170 59.75 51.37 6.24 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.734 1.614 . . . . 0.0 108.391 -178.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m120 57.15 27.4 13.43 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 127.546 2.338 . . . . 0.0 113.028 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -95.97 103.89 15.8 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 106.822 -1.547 . . . . 0.0 106.822 178.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.0 tp -65.41 -37.7 80.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 O-C-N 121.61 -0.681 . . . . 0.0 112.645 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.71 -35.76 77.13 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.795 0.838 . . . . 0.0 110.714 -179.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 15.9 ttt -80.36 -47.35 14.6 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 127.792 2.437 . . . . 0.0 109.032 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.02 -37.75 72.15 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 121.586 -0.696 . . . . 0.0 110.897 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -56.73 -47.55 79.76 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 123.612 0.765 . . . . 0.0 109.36 178.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -60.11 -45.26 93.56 Favored 'General case' 0 CA--C 1.529 0.152 0 O-C-N 123.752 0.658 . . . . 0.0 109.806 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 67.4 mt -53.46 -57.45 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 123.562 0.745 . . . . 0.0 109.526 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.5 mt -59.17 -55.17 38.35 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.071 0.948 . . . . 0.0 111.677 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -58.01 -36.94 73.39 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 114.017 1.118 . . . . 0.0 114.017 -178.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -77.22 -72.9 0.32 Allowed 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 119.227 0.921 . . . . 0.0 109.722 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -61.55 -54.39 43.75 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 115.743 1.756 . . . . 0.0 115.743 -177.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.3 t . . . . . 0 CA--C 1.537 0.46 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 -178.436 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 9.7 mp . . . . . 0 N--CA 1.46 0.071 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 6.2 m -55.12 -35.95 65.21 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.95 1.3 . . . . 0.0 110.304 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 8.3 m -83.25 -12.8 56.4 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.132 0.973 . . . . 0.0 111.734 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -89.25 -33.37 17.0 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 124.481 1.112 . . . . 0.0 108.803 178.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 35.0 mt -59.65 -39.59 79.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -65.06 -35.15 80.25 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.807 -0.558 . . . . 0.0 110.546 178.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -61.33 -39.53 90.89 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 119.012 0.824 . . . . 0.0 108.918 179.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 12.2 mt -67.95 -33.7 75.16 Favored 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 64.0 mtt -61.72 -36.91 82.32 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 119.259 0.936 . . . . 0.0 108.604 177.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 4.8 m -56.84 -34.54 67.88 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.683 0.674 . . . . 0.0 110.645 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -71.43 -9.81 58.76 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.016 0.825 . . . . 0.0 112.076 178.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.29 -3.34 47.25 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 125.538 1.542 . . . . 0.0 114.9 178.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -71.33 162.83 28.79 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 119.645 1.722 . . . . 0.0 113.043 -179.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 7.8 m -88.01 154.07 20.78 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.768 1.227 . . . . 0.0 109.659 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -61.93 -45.53 93.29 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.979 0.912 . . . . 0.0 112.043 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 -53.49 -51.68 61.99 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 124.081 0.953 . . . . 0.0 110.347 -179.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . 0.597 ' HA ' ' HE2' ' B' ' 28' ' ' LYS . 40.1 m-20 -55.66 -47.84 76.01 Favored 'General case' 0 CA--C 1.521 -0.158 0 C-N-CA 124.033 0.933 . . . . 0.0 109.789 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 57.7 mt -56.72 -50.34 74.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -58.33 -43.39 88.23 Favored 'General case' 0 C--N 1.34 0.158 0 CA-C-O 118.289 -0.863 . . . . 0.0 112.162 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.597 ' HE2' ' HA ' ' B' ' 25' ' ' ASP . 24.4 mtmt -57.29 -49.73 75.16 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 179.028 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.95 -41.53 99.54 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 117.919 -1.039 . . . . 0.0 111.478 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -59.25 -52.89 63.73 Favored 'General case' 0 C--N 1.341 0.22 0 CA-C-N 119.994 1.27 . . . . 0.0 111.174 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 8.8 p -61.09 -48.64 88.13 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 O-C-N 123.427 0.454 . . . . 0.0 110.776 -179.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 71.1 mt -60.66 -35.18 62.07 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-O 118.985 -0.531 . . . . 0.0 110.223 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.99 5.99 7.06 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.145 0.978 . . . . 0.0 112.439 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 19.0 m170 63.6 44.31 5.26 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.091 1.756 . . . . 0.0 109.003 -178.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 56.58 50.42 12.87 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 128.257 2.623 . . . . 0.0 111.064 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -121.28 103.26 8.85 Favored 'General case' 0 CA--C 1.521 -0.14 0 C-N-CA 125.402 1.481 . . . . 0.0 109.12 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 10.2 tp -57.68 -40.8 77.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 C-N-CA 124.035 0.934 . . . . 0.0 113.446 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -59.29 -53.43 58.38 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 124.012 0.925 . . . . 0.0 110.226 -178.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 13.3 ttt -64.39 -45.82 85.99 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 126.176 1.791 . . . . 0.0 109.678 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.94 -43.78 94.76 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.265 0.626 . . . . 0.0 111.07 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -55.16 -36.83 66.26 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.436 179.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -68.89 -43.04 76.09 Favored 'General case' 0 N--CA 1.454 -0.269 0 O-C-N 123.633 0.583 . . . . 0.0 109.56 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 68.2 mt -56.92 -49.48 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 39.5 mt -65.13 -5.92 7.85 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.207 1.403 . . . . 0.0 112.86 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -109.21 -34.67 6.51 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 117.504 -1.236 . . . . 0.0 113.614 -178.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -98.23 -8.4 27.42 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.288 0.949 . . . . 0.0 112.273 -179.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -123.84 -58.34 1.58 Allowed 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 123.809 0.844 . . . . 0.0 109.558 178.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 3.4 t . . . . . 0 CA--C 1.541 0.601 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 179.63 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 mp . . . . . 0 N--CA 1.464 0.247 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.5 m -55.93 -38.07 69.79 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.94 0.896 . . . . 0.0 110.058 178.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.6 p -69.05 -37.52 78.59 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 121.808 -0.558 . . . . 0.0 110.539 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -65.98 -28.95 69.28 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.432 0.693 . . . . 0.0 109.596 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 78.5 mt -67.87 -49.76 66.03 Favored 'Isoleucine or valine' 0 C--N 1.338 0.099 0 N-CA-C 106.056 -1.831 . . . . 0.0 106.056 177.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -62.9 -28.01 69.76 Favored 'General case' 0 C--O 1.236 0.355 0 O-C-N 121.999 -0.438 . . . . 0.0 111.347 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -67.87 -44.51 76.91 Favored 'General case' 0 C--N 1.34 0.176 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 178.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.8 mt -65.63 -32.77 74.52 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-O 118.129 -0.938 . . . . 0.0 110.254 178.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 63.3 mtt -58.69 -45.96 88.32 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 106.591 -1.633 . . . . 0.0 106.591 177.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.9 t -62.82 -25.69 68.38 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.344 0.658 . . . . 0.0 111.614 179.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -71.86 -8.7 55.88 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 120.031 1.287 . . . . 0.0 109.542 177.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.75 11.13 25.44 Favored Glycine 0 CA--C 1.53 0.991 0 CA-C-O 117.83 -1.539 . . . . 0.0 116.149 178.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -95.08 167.2 11.53 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.367 1.583 . . . . 0.0 112.325 -179.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.2 m -95.23 151.93 18.81 Favored 'General case' 0 C--O 1.232 0.163 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 178.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -57.0 -39.57 74.92 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.303 0.641 . . . . 0.0 112.422 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -57.28 -51.65 68.53 Favored 'General case' 0 N--CA 1.461 0.112 0 C-N-CA 125.263 1.425 . . . . 0.0 111.904 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -59.22 -41.69 89.24 Favored 'General case' 0 CA--C 1.517 -0.295 0 C-N-CA 123.837 0.855 . . . . 0.0 109.119 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.0 mt -64.06 -50.02 78.94 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -58.99 -42.12 89.27 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 119.991 1.268 . . . . 0.0 110.95 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -63.81 -41.14 97.95 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 120.676 -1.265 . . . . 0.0 109.628 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.91 -38.37 86.1 Favored 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 121.544 -0.722 . . . . 0.0 110.313 179.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -55.85 29.65 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.364 1.066 . . . . 0.0 111.603 -179.197 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -58.17 -45.08 88.8 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 123.279 0.631 . . . . 0.0 111.864 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.1 mt -69.5 -25.39 28.83 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 CA-C-N 118.513 0.597 . . . . 0.0 110.995 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.5 15.53 12.18 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 120.968 -1.083 . . . . 0.0 111.514 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.4 m170 53.61 39.21 29.83 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.827 1.194 . . . . 0.0 110.011 -178.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.8 m120 62.77 13.21 6.27 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.273 1.829 . . . . 0.0 112.34 -178.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -78.29 101.42 7.15 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 104.016 -2.587 . . . . 0.0 104.016 177.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.401 HG13 ' HE3' ' A' ' 41' ' ' LYS . 7.6 tp -54.26 -41.79 53.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 124.656 1.182 . . . . 0.0 114.082 -178.414 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -69.55 -37.61 77.12 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 123.75 0.82 . . . . 0.0 111.348 -178.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 13.3 ttt -65.47 -47.57 75.62 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 178.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.04 -43.29 95.43 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.401 ' HE3' HG13 ' A' ' 37' ' ' ILE . 86.1 mttt -57.12 -43.62 82.52 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.588 0.755 . . . . 0.0 109.808 178.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -58.25 -43.88 88.04 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 118.864 -0.589 . . . . 0.0 110.174 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 17.6 mt -63.14 -49.84 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 88.9 mt -70.73 18.61 0.06 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.316 1.446 . . . . 0.0 113.906 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 39.6 ttp180 -140.59 -0.5 1.55 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.354 1.862 . . . . 0.0 110.504 178.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -131.08 -14.49 3.43 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.88 1.672 . . . . 0.0 111.76 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -123.26 -67.53 0.94 Allowed 'General case' 0 C--O 1.233 0.188 0 C-N-CA 126.008 1.723 . . . . 0.0 106.988 178.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.7 t . . . . . 0 CA--C 1.536 0.411 0 N-CA-C 106.11 -1.811 . . . . 0.0 106.11 178.243 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 mp . . . . . 0 N--CA 1.457 -0.089 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.75 -43.73 69.4 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.989 0.813 . . . . 0.0 110.79 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 78.2 p -65.58 -36.55 84.07 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 117.971 0.35 . . . . 0.0 111.242 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -66.73 -32.28 73.47 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.635 -0.665 . . . . 0.0 111.639 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.31 -46.23 97.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -60.69 -33.77 73.36 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 123.163 0.585 . . . . 0.0 111.519 -179.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -68.24 -40.16 82.1 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 178.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 35.1 mt -65.42 -32.79 74.6 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 121.569 -0.707 . . . . 0.0 109.782 178.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 55.0 mtt -60.58 -32.05 71.16 Favored 'General case' 0 C--N 1.343 0.305 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 3.6 t -60.38 -49.09 78.95 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 125.649 1.579 . . . . 0.0 109.892 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -58.73 -33.24 70.0 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.038 0.535 . . . . 0.0 109.562 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 126.89 -2.77 7.42 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 125.221 1.391 . . . . 0.0 114.115 178.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -63.96 135.81 56.81 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 119.191 1.495 . . . . 0.0 110.386 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 17.7 m -74.4 147.24 42.28 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -56.86 -34.56 67.95 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.511 0.724 . . . . 0.0 110.107 179.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -57.09 -55.07 39.54 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.194 0.998 . . . . 0.0 109.396 178.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.49 -50.13 72.68 Favored 'General case' 0 CA--C 1.521 -0.154 0 C-N-CA 124.996 1.319 . . . . 0.0 109.817 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 31.0 mt -57.84 -49.31 81.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 119.515 -0.279 . . . . 0.0 110.55 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -63.92 -43.39 96.04 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 118.894 0.77 . . . . 0.0 112.485 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -63.67 -41.66 98.16 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.17 -46.15 88.49 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 25.4 mt -61.99 -45.14 94.92 Favored 'General case' 0 CA--C 1.522 -0.127 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 -178.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.05 -44.79 97.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 119.225 0.92 . . . . 0.0 110.489 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 69.0 mt -69.23 -35.95 70.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 C-N-CA 123.584 0.753 . . . . 0.0 109.077 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.05 12.56 0.68 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.094 0.958 . . . . 0.0 112.551 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 51.0 m170 53.43 50.05 18.26 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.639 1.576 . . . . 0.0 109.532 -179.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.9 t30 54.92 46.5 24.25 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 127.015 2.126 . . . . 0.0 112.971 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -119.69 107.96 13.87 Favored 'General case' 0 CA--C 1.522 -0.111 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 4.0 tp -63.74 -37.68 80.33 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.243 0 C-N-CA 124.078 0.951 . . . . 0.0 112.235 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -66.84 -49.74 64.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 119.307 0.958 . . . . 0.0 109.449 -178.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 14.6 ttt -59.24 -45.09 92.11 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 107.578 -1.268 . . . . 0.0 107.578 178.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.45 -43.69 98.42 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 178.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -58.16 -35.26 71.3 Favored 'General case' 0 C--N 1.34 0.194 0 CA-C-O 118.112 -0.947 . . . . 0.0 110.24 179.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -63.55 -41.71 98.43 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 118.762 0.71 . . . . 0.0 109.288 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 53.0 mt -62.22 -44.6 99.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 178.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 66.3 mt -76.56 25.46 0.14 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 127.054 2.141 . . . . 0.0 111.683 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 20.1 ttt85 -144.36 0.31 1.02 Allowed 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 125.895 1.678 . . . . 0.0 111.024 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -132.57 -59.96 0.9 Allowed 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 125.455 1.502 . . . . 0.0 107.093 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -79.19 -73.49 0.33 Allowed 'General case' 0 C--O 1.236 0.393 0 C-N-CA 123.772 0.829 . . . . 0.0 108.77 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.239 0.516 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 178.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 119.421 -0.323 . . . . 0.0 111.247 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 m -57.8 -46.3 84.84 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.291 1.436 . . . . 0.0 110.461 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.1 p -58.71 -32.87 69.58 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.389 1.076 . . . . 0.0 112.325 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -71.71 -28.36 63.64 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 123.298 0.639 . . . . 0.0 110.837 -178.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.6 mt -64.9 -47.72 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 178.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -62.03 -35.57 79.0 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.707 0.803 . . . . 0.0 110.73 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.8 mtp85 -65.67 -34.7 78.82 Favored 'General case' 0 C--N 1.345 0.375 0 C-N-CA 119.045 -1.062 . . . . 0.0 108.641 178.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.1 mt -74.27 -35.64 63.77 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 118.793 0.724 . . . . 0.0 109.362 178.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 36.1 mtt -57.33 -41.9 80.85 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 119.162 0.892 . . . . 0.0 109.006 178.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.0 t -55.1 -35.18 64.34 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.89 1.676 . . . . 0.0 111.224 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -69.99 -22.66 63.12 Favored 'General case' 0 CA--C 1.529 0.148 0 O-C-N 121.35 -0.844 . . . . 0.0 112.601 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.21 12.7 14.84 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.959 1.266 . . . . 0.0 110.632 -178.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -79.4 140.17 37.49 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 118.821 1.31 . . . . 0.0 108.918 179.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.4 m -73.93 143.36 45.75 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 122.857 0.463 . . . . 0.0 110.002 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -54.11 -47.54 71.69 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 123.834 0.854 . . . . 0.0 111.627 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -55.22 -47.64 75.03 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.392 1.077 . . . . 0.0 112.298 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -59.38 -50.18 74.94 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 124.082 0.953 . . . . 0.0 108.665 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 27.9 mt -56.65 -46.47 82.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 43.5 mm-40 -58.12 -50.38 73.67 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.309 0.644 . . . . 0.0 110.84 179.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -57.7 -44.57 85.98 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 118.419 0.554 . . . . 0.0 110.336 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.0 -40.37 97.57 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 118.088 0.403 . . . . 0.0 110.806 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 30.7 mt -64.85 -50.98 64.49 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 -178.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.5 p -59.73 -50.38 80.23 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 O-C-N 123.644 0.59 . . . . 0.0 109.768 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.5 mt -62.91 -35.45 71.31 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 C-N-CA 123.965 0.906 . . . . 0.0 110.264 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.35 4.18 7.68 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.295 0.952 . . . . 0.0 112.631 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 13.7 m170 65.27 44.85 3.1 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.018 1.327 . . . . 0.0 109.517 -179.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.0 m120 62.24 23.82 14.13 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 126.088 1.755 . . . . 0.0 113.284 179.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -98.29 107.74 20.27 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 125.417 1.487 . . . . 0.0 107.422 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.402 HG13 ' HE3' ' A' ' 41' ' ' LYS . 8.6 tp -60.41 -44.42 96.09 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 -178.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -59.84 -54.37 46.97 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 124.044 0.937 . . . . 0.0 109.189 -178.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.4 ttt -56.64 -42.67 79.26 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.444 1.097 . . . . 0.0 109.231 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.7 -39.66 88.16 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.31 0.644 . . . . 0.0 110.899 178.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.402 ' HE3' HG13 ' A' ' 37' ' ' ILE . 83.5 mttt -59.85 -39.39 85.02 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 121.205 -0.934 . . . . 0.0 109.945 179.404 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -60.28 -49.17 78.68 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 179.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 63.1 mt -53.86 -50.37 52.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.8 mt -62.95 -23.71 67.54 Favored 'General case' 0 C--O 1.226 -0.147 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 -179.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -95.43 -42.17 8.61 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 120.255 1.389 . . . . 0.0 112.046 -179.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -73.92 -38.89 64.17 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 118.464 -0.779 . . . . 0.0 112.202 -178.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -99.33 -67.48 0.85 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 119.802 1.183 . . . . 0.0 111.428 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.4 t . . . . . 0 CA--C 1.537 0.48 0 C-N-CA 124.776 1.231 . . . . 0.0 108.894 -179.853 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 8.7 mp . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 15.9 m -59.36 -43.48 92.81 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 124.18 0.992 . . . . 0.0 111.669 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 4.8 p -63.19 -23.07 67.26 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.223 1.009 . . . . 0.0 111.47 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -81.24 -25.83 36.33 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 124.732 1.213 . . . . 0.0 110.513 -178.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 61.6 mt -62.97 -45.45 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 178.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -60.78 -27.67 68.17 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.839 1.256 . . . . 0.0 111.018 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 52.2 mtp85 -77.32 -41.54 40.18 Favored 'General case' 0 C--N 1.34 0.183 0 O-C-N 121.287 -0.883 . . . . 0.0 108.823 178.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 7.1 mt -62.9 -37.15 85.81 Favored 'General case' 0 C--O 1.227 -0.095 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 178.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 40.3 mtt -57.98 -31.43 66.9 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 121.734 -0.604 . . . . 0.0 111.168 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 3.8 t -60.04 -20.5 58.29 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.382 1.073 . . . . 0.0 111.341 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -90.35 -9.21 48.57 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 119.574 1.079 . . . . 0.0 111.531 178.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.67 35.75 6.75 Favored Glycine 0 CA--C 1.529 0.95 0 CA-C-N 120.058 1.299 . . . . 0.0 111.803 -179.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -101.33 137.53 39.55 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 118.501 1.15 . . . . 0.0 110.068 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 67.3 m -67.61 148.68 51.08 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.371 0.605 . . . . 0.0 110.904 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -60.6 -38.99 86.49 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 123.846 0.858 . . . . 0.0 110.478 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -57.56 -57.98 10.29 Favored 'General case' 0 N--CA 1.452 -0.37 0 O-C-N 124.059 0.849 . . . . 0.0 109.489 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -51.97 -50.0 62.14 Favored 'General case' 0 C--N 1.334 -0.07 0 C-N-CA 124.775 1.23 . . . . 0.0 109.777 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 52.3 mt -56.24 -50.58 70.45 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 CA-C-O 118.652 -0.69 . . . . 0.0 110.163 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -60.21 -49.81 76.13 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.951 0.796 . . . . 0.0 110.665 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -54.56 -45.14 73.45 Favored 'General case' 0 N--CA 1.46 0.067 0 C-N-CA 124.522 1.129 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.6 -38.29 89.06 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 118.529 0.604 . . . . 0.0 110.433 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 18.5 mt -63.54 -54.27 38.79 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-O 118.572 -0.728 . . . . 0.0 111.733 -179.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 12.7 p -57.17 -42.72 80.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 118.548 0.613 . . . . 0.0 111.632 -178.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 84.5 mt -71.18 -27.81 30.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 O-C-N 121.914 -0.491 . . . . 0.0 110.385 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.8 11.6 15.07 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.017 -1.052 . . . . 0.0 111.121 178.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 14.7 m170 56.7 40.68 29.07 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-O 122.377 1.084 . . . . 0.0 108.278 -177.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . 0.284 10.5 m-20 66.63 8.51 5.93 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 129.63 3.172 . . . . 0.0 113.523 -179.083 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -70.05 109.46 4.57 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 178.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 8.3 tp -63.38 -42.89 97.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 124.089 0.956 . . . . 0.0 112.056 -178.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -59.47 -50.09 75.28 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.207 1.003 . . . . 0.0 110.52 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 19.8 ttt -62.05 -49.22 76.85 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 125.576 1.55 . . . . 0.0 108.873 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.66 -43.08 80.02 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.677 0.791 . . . . 0.0 110.989 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 26.8 mttm -58.62 -39.42 80.41 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 118.711 -0.661 . . . . 0.0 111.019 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 46.3 m-20 -64.51 -40.5 95.76 Favored 'General case' 0 CA--C 1.528 0.112 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 68.6 mt -57.94 -48.32 84.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 178.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 40.9 mt -66.74 -7.42 20.93 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -109.83 -33.93 6.59 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 120.37 1.441 . . . . 0.0 111.328 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.58 -21.73 22.71 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 117.981 -1.009 . . . . 0.0 112.585 -178.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -114.56 -76.28 0.58 Allowed 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 119.545 1.066 . . . . 0.0 108.126 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.234 0.258 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 179.128 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.448 -0.557 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.5 m -54.91 -40.43 69.84 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 124.521 1.129 . . . . 0.0 111.088 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.8 m -67.91 -24.26 65.19 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.378 0.671 . . . . 0.0 112.289 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -80.79 -28.7 36.25 Favored 'General case' 0 N--CA 1.457 -0.104 0 O-C-N 121.674 -0.641 . . . . 0.0 110.747 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.7 mt -57.06 -47.5 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -61.99 -22.57 65.79 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 122.938 0.495 . . . . 0.0 112.006 -179.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 53.4 mtp180 -79.6 -32.6 41.91 Favored 'General case' 0 C--O 1.232 0.156 0 O-C-N 120.823 -1.173 . . . . 0.0 109.326 178.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.77 -39.0 87.7 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 177.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 58.9 mtt -54.06 -32.62 55.18 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 123.332 0.653 . . . . 0.0 112.61 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.8 m -60.99 -23.38 65.34 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.419 0.687 . . . . 0.0 111.013 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -94.99 5.12 52.84 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 126.003 1.721 . . . . 0.0 111.863 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.98 -9.01 73.23 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 124.729 1.157 . . . . 0.0 115.344 178.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -63.72 129.44 40.15 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 119.087 1.443 . . . . 0.0 109.375 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.6 m -78.39 165.45 23.79 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 108.677 -0.861 . . . . 0.0 108.677 178.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -57.92 -42.52 84.95 Favored 'General case' 0 N--CA 1.462 0.143 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -52.14 -47.87 65.18 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.869 0.868 . . . . 0.0 111.955 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -63.68 -52.54 60.19 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 125.316 1.446 . . . . 0.0 110.475 -179.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.9 mt -55.38 -49.47 72.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 124.179 0.991 . . . . 0.0 110.257 -178.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -61.25 -50.14 74.27 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 118.455 -0.783 . . . . 0.0 109.592 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -53.34 -43.08 67.39 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 120.197 1.362 . . . . 0.0 111.711 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.8 -46.19 83.07 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 123.02 0.528 . . . . 0.0 109.734 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 29.0 mt -59.81 -47.95 83.65 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 123.738 0.815 . . . . 0.0 110.546 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 52.3 t -52.94 -56.69 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 125.259 1.424 . . . . 0.0 109.428 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 39.8 mt -64.87 -32.41 58.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 122.962 0.505 . . . . 0.0 111.589 -178.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.39 8.27 6.49 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 119.093 0.86 . . . . 0.0 111.559 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.2 m170 58.56 40.28 23.88 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.46 1.504 . . . . 0.0 108.484 -178.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.8 m120 69.92 10.58 7.51 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 129.077 2.951 . . . . 0.0 113.711 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -76.45 108.6 9.53 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 178.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 9.7 tp -61.46 -42.21 93.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 -178.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -61.79 -44.75 96.25 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 124.741 1.216 . . . . 0.0 109.633 -178.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 13.4 ttt -67.35 -46.67 72.71 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 125.146 1.378 . . . . 0.0 108.841 179.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.92 97.61 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.32 0.648 . . . . 0.0 110.519 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.9 mttm -59.12 -39.99 84.03 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -63.88 -41.6 97.7 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 118.959 0.799 . . . . 0.0 110.564 178.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 71.6 mt -57.69 -50.74 76.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-N 119.667 1.121 . . . . 0.0 108.187 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 65.2 mt -63.22 -30.54 71.66 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.471 0.708 . . . . 0.0 111.872 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -72.71 -39.5 66.93 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 118.897 0.772 . . . . 0.0 112.379 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -94.58 -31.25 13.96 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 116.593 2.072 . . . . 0.0 116.593 -177.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -97.25 -56.7 2.46 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 120.002 1.274 . . . . 0.0 109.813 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.5 t . . . . . 0 CA--C 1.541 0.616 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.412 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 9.0 mp . . . . . 0 N--CA 1.461 0.107 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 5.9 m -55.88 -17.62 6.87 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 125.078 1.351 . . . . 0.0 114.349 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 69.0 m -96.93 -24.73 15.7 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.767 1.167 . . . . 0.0 110.303 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -86.21 -31.5 21.7 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.249 1.019 . . . . 0.0 110.743 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 72.4 mt -58.95 -37.82 69.68 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 N-CA-C 107.086 -1.45 . . . . 0.0 107.086 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -64.57 -39.9 94.58 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 121.168 -0.958 . . . . 0.0 109.975 178.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 50.7 mtp180 -64.85 -25.92 68.11 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 121.324 -0.86 . . . . 0.0 109.408 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 20.9 mt -81.54 -43.82 18.21 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.346 1.058 . . . . 0.0 108.862 178.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 28.1 mtt -54.22 -42.5 69.89 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 119.748 1.158 . . . . 0.0 110.595 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 58.2 m -64.89 -2.68 2.75 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 179.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -104.65 0.56 28.61 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 125.734 1.614 . . . . 0.0 111.085 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.54 -5.66 54.81 Favored Glycine 0 C--N 1.335 0.475 0 CA-C-O 119.046 -0.864 . . . . 0.0 113.257 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -75.52 163.28 27.54 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 178.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 42.8 m -125.13 156.73 37.88 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 123.649 0.779 . . . . 0.0 110.091 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -51.9 -35.09 44.18 Favored 'General case' 0 CA--C 1.529 0.16 0 O-C-N 121.656 -0.653 . . . . 0.0 112.22 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -59.66 -57.58 12.33 Favored 'General case' 0 C--O 1.236 0.381 0 O-C-N 121.794 -0.566 . . . . 0.0 111.352 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -67.47 -41.38 84.72 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.769 0.828 . . . . 0.0 110.454 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 80.6 mt -54.58 -53.88 27.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 C-N-CA 123.894 0.878 . . . . 0.0 108.705 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -62.59 -48.91 77.37 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.841 179.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -53.33 -36.79 61.68 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 120.673 1.579 . . . . 0.0 111.709 -179.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.73 -49.22 55.31 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 14.2 mt -54.94 -49.39 71.46 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 124.067 0.947 . . . . 0.0 111.221 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 86.3 t -58.5 -48.22 86.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 124.555 1.142 . . . . 0.0 110.231 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 65.3 mt -69.47 -26.11 30.49 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 O-C-N 121.276 -0.89 . . . . 0.0 110.442 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.84 9.18 19.95 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.591 1.557 . . . . 0.0 111.557 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 32.5 m170 55.67 48.97 17.35 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.331 1.052 . . . . 0.0 109.355 -178.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 7.1 m120 62.19 10.53 3.83 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 128.103 2.561 . . . . 0.0 114.008 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -78.54 102.61 8.0 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 107.324 -1.362 . . . . 0.0 107.324 178.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 7.2 tp -59.98 -39.03 79.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -179.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -65.79 -40.73 92.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.859 0.838 . . . . 0.0 111.045 -178.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 22.1 ttt -68.94 -47.02 66.74 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 179.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.88 -40.31 84.01 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.941 0.896 . . . . 0.0 110.943 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 27.8 mttm -60.95 -38.56 86.29 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 123.614 0.766 . . . . 0.0 109.677 178.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -66.23 -39.49 89.61 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 118.407 -0.806 . . . . 0.0 108.835 178.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 72.3 mt -55.33 -54.1 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 96.3 mt -60.53 -45.12 95.03 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 123.81 0.844 . . . . 0.0 111.718 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 14.7 ttm-85 -66.72 -29.43 69.42 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 120.546 1.521 . . . . 0.0 113.434 -179.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -90.3 -37.01 14.36 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 119.65 1.114 . . . . 0.0 113.81 -179.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -97.77 -67.71 0.83 Allowed 'General case' 0 C--O 1.233 0.227 0 CA-C-N 119.183 0.902 . . . . 0.0 109.682 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 20.6 t . . . . . 0 CA--C 1.543 0.702 0 C-N-CA 125.522 1.529 . . . . 0.0 110.613 179.876 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 mp . . . . . 0 CA--C 1.534 0.364 0 CA-C-O 118.599 -0.715 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.4 p -58.23 -47.95 81.91 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 120.447 1.476 . . . . 0.0 109.61 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.59 -24.85 61.81 Favored 'General case' 0 N--CA 1.439 -0.979 0 C-N-CA 129.362 3.065 . . . . 0.0 111.548 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.33 -29.76 26.05 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.612 1.165 . . . . 0.0 110.621 -179.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 53.8 mt -64.72 -52.83 49.46 Favored 'Isoleucine or valine' 0 C--N 1.341 0.236 0 N-CA-C 105.92 -1.881 . . . . 0.0 105.92 178.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -58.8 -35.15 72.37 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.669 0.787 . . . . 0.0 109.66 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -67.43 -39.36 85.43 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 119.137 0.88 . . . . 0.0 110.095 178.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.4 mt -67.61 -33.17 74.45 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 118.491 -0.766 . . . . 0.0 110.653 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.0 mtt -59.61 -33.45 71.5 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 119.042 0.837 . . . . 0.0 111.037 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.9 m -60.91 -24.86 66.32 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.221 0.608 . . . . 0.0 111.832 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -78.57 -20.19 51.11 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.45 -0.781 . . . . 0.0 111.427 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.02 -0.37 27.04 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 125.094 1.33 . . . . 0.0 111.344 -178.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -70.01 127.13 31.77 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 118.675 1.237 . . . . 0.0 108.245 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.3 m -66.99 148.07 52.43 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 122.675 0.39 . . . . 0.0 110.594 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -54.16 -42.7 69.89 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.496 0.718 . . . . 0.0 111.61 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -60.03 -45.26 93.39 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-O 119.14 -0.457 . . . . 0.0 110.814 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -59.2 -50.96 72.01 Favored 'General case' 0 CA--C 1.522 -0.107 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 41.1 mt -57.06 -47.91 82.8 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -58.4 -56.26 24.45 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 118.643 -0.694 . . . . 0.0 109.951 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.5 mtpp -53.3 -45.56 69.01 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 125.043 1.337 . . . . 0.0 110.785 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.18 -44.35 95.13 Favored 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 123.675 0.79 . . . . 0.0 110.27 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 54.1 mt -64.83 -36.02 82.99 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 118.631 -0.699 . . . . 0.0 112.595 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.8 t -63.57 -58.01 9.29 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 179.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 59.1 mt -59.28 -38.41 74.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 125.568 1.547 . . . . 0.0 111.28 -178.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.12 0.7 15.33 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 118.831 0.742 . . . . 0.0 112.193 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 51.8 m170 56.24 57.56 4.9 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 125.342 1.457 . . . . 0.0 109.495 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.2 m120 59.23 18.73 6.83 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 126.631 1.972 . . . . 0.0 113.769 179.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -96.07 101.13 12.75 Favored 'General case' 0 C--O 1.231 0.104 0 O-C-N 121.066 -1.021 . . . . 0.0 108.89 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.8 tp -60.5 -39.18 80.41 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.331 0 C-N-CA 123.337 0.655 . . . . 0.0 111.357 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -64.05 -37.92 89.2 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 119.227 0.922 . . . . 0.0 110.501 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 8.9 ttt -72.85 -49.6 29.18 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 178.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.85 -36.91 75.37 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.831 0.853 . . . . 0.0 111.148 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 43.5 mttt -57.17 -48.36 78.93 Favored 'General case' 0 CA--C 1.517 -0.3 0 C-N-CA 124.741 1.216 . . . . 0.0 108.058 178.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -59.17 -42.65 91.28 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-O 118.922 -0.561 . . . . 0.0 109.713 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 58.1 mt -57.51 -54.51 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 118.88 0.764 . . . . 0.0 109.154 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.4 mt -58.44 -44.8 89.31 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 122.767 0.427 . . . . 0.0 110.679 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -63.76 -19.03 64.65 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 126.15 1.78 . . . . 0.0 112.556 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -112.26 -27.38 8.35 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 114.946 1.462 . . . . 0.0 114.946 -178.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -109.96 -61.61 1.63 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.077 1.351 . . . . 0.0 113.285 -179.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.5 m . . . . . 0 CA--C 1.535 0.397 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 -178.449 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 mp . . . . . 0 C--O 1.226 -0.139 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 1.2 p -51.57 -60.39 3.21 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 126.164 1.786 . . . . 0.0 111.096 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.16 -35.2 78.07 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 125.057 1.343 . . . . 0.0 111.022 179.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -34.01 77.35 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 117.725 -1.131 . . . . 0.0 111.17 -178.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 39.4 mt -63.28 -46.29 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 N-CA-C 107.028 -1.471 . . . . 0.0 107.028 178.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -59.68 -35.73 75.05 Favored 'General case' 0 C--O 1.24 0.574 0 C-N-CA 123.911 0.884 . . . . 0.0 110.893 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 -68.14 -34.11 75.74 Favored 'General case' 0 N--CA 1.456 -0.161 0 O-C-N 121.681 -0.637 . . . . 0.0 109.726 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 42.8 mt -78.31 -37.25 45.11 Favored 'General case' 0 CA--C 1.523 -0.069 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 178.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 37.5 mtt -56.4 -39.98 73.89 Favored 'General case' 0 C--N 1.337 0.065 0 CA-C-N 119.006 0.821 . . . . 0.0 109.526 178.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 56.6 m -61.33 -18.52 58.99 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.434 0.902 . . . . 0.0 113.434 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -81.95 -32.65 30.66 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 119.591 1.087 . . . . 0.0 109.096 178.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.36 -0.16 6.4 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 125.657 1.599 . . . . 0.0 112.83 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -70.69 125.25 26.29 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 118.779 1.289 . . . . 0.0 107.702 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.7 m -65.9 156.71 32.63 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 122.956 0.502 . . . . 0.0 111.183 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -53.04 -49.0 67.19 Favored 'General case' 0 N--CA 1.458 -0.049 0 C-N-CA 123.756 0.822 . . . . 0.0 111.366 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -57.94 -45.11 87.1 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 123.527 0.731 . . . . 0.0 111.657 -179.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -64.52 -45.9 85.21 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 54.1 mt -57.63 -55.55 20.68 Favored 'Isoleucine or valine' 0 C--N 1.341 0.237 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -51.9 -53.96 34.84 Favored 'General case' 0 C--O 1.219 -0.505 0 C-N-CA 124.833 1.253 . . . . 0.0 110.82 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -54.68 -41.58 70.37 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 120.353 1.433 . . . . 0.0 110.143 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.25 -42.74 93.0 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 178.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 50.7 mt -67.88 2.19 2.15 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.105 1.362 . . . . 0.0 113.198 178.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 89.4 t -112.91 -18.67 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 126.454 1.902 . . . . 0.0 110.447 177.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 36.1 mt -102.86 -33.95 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 O-C-N 121.071 -1.018 . . . . 0.0 113.3 -178.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.89 11.4 7.73 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.801 1.641 . . . . 0.0 111.922 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 9.3 m170 52.07 50.91 17.49 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.957 1.703 . . . . 0.0 110.784 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 5.9 m120 59.69 11.38 2.4 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 130.058 3.343 . . . . 0.0 112.015 -179.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -76.82 97.59 4.58 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 106.168 -1.79 . . . . 0.0 106.168 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 5.6 tp -53.68 -42.05 49.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 124.332 1.053 . . . . 0.0 111.186 -178.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -62.8 -39.84 95.51 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 121.351 -0.843 . . . . 0.0 112.285 -178.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 6.5 ttt -70.76 -46.02 63.71 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.85 -39.51 85.44 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.288 0.494 . . . . 0.0 110.95 179.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -55.95 -43.49 77.51 Favored 'General case' 0 N--CA 1.461 0.109 0 C-N-CA 124.268 1.027 . . . . 0.0 109.065 178.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -65.03 -39.21 93.03 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 118.665 -0.683 . . . . 0.0 110.499 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 49.9 mt -59.82 -60.87 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 CA-C-N 119.193 0.906 . . . . 0.0 108.845 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 62.5 mt -51.7 -47.85 63.77 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.426 1.491 . . . . 0.0 112.041 -178.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -58.87 -25.17 63.08 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -103.7 -55.85 2.31 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 118.872 0.76 . . . . 0.0 111.207 -179.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -74.09 -21.17 60.02 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 -178.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 CA--C 1.544 0.728 0 C-N-CA 125.931 1.692 . . . . 0.0 109.286 -179.429 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.53 0.203 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.0 p -60.76 -27.57 68.06 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.873 1.215 . . . . 0.0 111.17 178.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.6 m -76.52 -25.7 54.44 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.291 0.636 . . . . 0.0 110.313 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -80.49 -26.82 37.99 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 123.756 0.823 . . . . 0.0 111.21 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.6 mt -57.96 -41.36 80.01 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 178.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -57.58 -41.03 80.3 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 125.294 1.438 . . . . 0.0 111.471 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -68.55 -37.89 80.33 Favored 'General case' 0 C--N 1.341 0.215 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.0 mt -68.04 -35.57 78.48 Favored 'General case' 0 C--O 1.228 -0.056 0 C-N-CA 123.825 0.85 . . . . 0.0 110.804 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 46.9 mtt -57.54 -46.13 84.24 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.931 0.787 . . . . 0.0 108.891 178.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.0 t -58.81 -39.11 80.2 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 122.908 0.483 . . . . 0.0 109.807 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -64.85 -8.13 14.04 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.171 -0.956 . . . . 0.0 112.323 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.97 3.33 59.15 Favored Glycine 0 C--N 1.335 0.479 0 CA-C-O 117.516 -1.714 . . . . 0.0 114.38 178.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -78.85 145.92 33.96 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 120.525 2.162 . . . . 0.0 107.439 179.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.7 m -73.87 154.44 39.44 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 121.495 -0.753 . . . . 0.0 110.671 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -60.15 -43.31 95.85 Favored 'General case' 0 C--O 1.232 0.135 0 O-C-N 122.247 -0.283 . . . . 0.0 111.297 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -58.73 -52.58 65.11 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.34 -54.67 37.22 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.957 1.303 . . . . 0.0 109.03 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 70.1 mt -50.58 -50.93 20.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 124.015 0.926 . . . . 0.0 110.781 -179.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -65.38 -50.65 64.71 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.738 0.415 . . . . 0.0 111.142 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -55.44 -34.29 64.35 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 120.969 -1.082 . . . . 0.0 110.718 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.05 -48.74 77.4 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 178.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 79.1 mt -58.62 -46.45 87.02 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.683 0.793 . . . . 0.0 110.809 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.3 t -52.85 -47.32 52.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 124.27 1.028 . . . . 0.0 110.872 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.1 mt -79.98 -23.45 11.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 C-N-CA 124.065 0.946 . . . . 0.0 111.537 -178.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.12 10.23 22.6 Favored 'General case' 0 N--CA 1.448 -0.553 0 O-C-N 121.061 -1.024 . . . . 0.0 110.848 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 17.2 m170 52.84 46.95 25.74 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.476 1.111 . . . . 0.0 109.212 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 67.06 5.29 4.02 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 128.393 2.677 . . . . 0.0 113.816 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -73.41 103.79 4.19 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 119.315 0.961 . . . . 0.0 109.71 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.8 tp -61.44 -38.69 80.63 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.242 0 C-N-CA 123.642 0.777 . . . . 0.0 112.515 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -67.11 -42.84 83.84 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 123.857 0.863 . . . . 0.0 111.231 -178.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 9.9 ttt -64.84 -50.6 66.03 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 106.689 -1.597 . . . . 0.0 106.689 178.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.3 -41.14 79.29 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.227 1.011 . . . . 0.0 111.256 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.4 mttm -57.33 -41.49 80.08 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 123.849 0.86 . . . . 0.0 109.73 178.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -64.97 -42.66 94.38 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 58.8 mt -57.92 -55.75 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.4 mt -56.84 -36.14 69.64 Favored 'General case' 0 C--O 1.226 -0.183 0 C-N-CA 123.53 0.732 . . . . 0.0 112.516 -179.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -74.92 -29.26 60.92 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -102.42 -23.95 13.89 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 -178.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -102.49 -69.85 0.77 Allowed 'General case' 0 C--O 1.235 0.301 0 C-N-CA 124.497 1.119 . . . . 0.0 108.68 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.2 m . . . . . 0 CA--C 1.542 0.657 0 C-N-CA 123.626 0.771 . . . . 0.0 109.028 178.835 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 2.7 mp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 117.61 -1.186 . . . . 0.0 114.196 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 13.8 p -56.65 -39.46 73.75 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 120.156 1.343 . . . . 0.0 111.028 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -54.85 -32.21 60.42 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.762 1.625 . . . . 0.0 112.351 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -85.69 -24.92 26.8 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 121.507 -0.746 . . . . 0.0 110.093 179.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 42.3 mt -65.31 -42.27 93.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 N-CA-C 105.896 -1.891 . . . . 0.0 105.896 178.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -58.57 -36.14 73.48 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.481 0.712 . . . . 0.0 110.104 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -72.34 -40.93 67.01 Favored 'General case' 0 C--N 1.34 0.164 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 68.5 mt -65.88 -36.43 83.39 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 53.2 mtt -60.87 -39.14 88.07 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 177.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.89 -38.08 81.24 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.9 0.88 . . . . 0.0 109.573 178.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -69.95 -6.41 32.91 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.957 0.799 . . . . 0.0 111.255 178.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.34 -4.69 67.27 Favored Glycine 0 CA--C 1.522 0.482 0 C-N-CA 125.646 1.594 . . . . 0.0 114.645 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -61.9 145.28 53.27 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 118.96 1.38 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 64.0 m -78.23 144.64 36.05 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 178.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -55.84 -40.82 73.36 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 124.652 1.181 . . . . 0.0 110.963 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -60.04 -54.57 44.42 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -57.94 -42.95 85.95 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 119.124 0.875 . . . . 0.0 110.386 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 64.1 mt -59.0 -54.44 34.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-N 118.983 0.811 . . . . 0.0 109.418 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -62.2 -49.55 75.32 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.77 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -53.81 -39.35 65.44 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 120.634 1.561 . . . . 0.0 110.077 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.14 -50.52 63.71 Favored 'General case' 0 C--O 1.223 -0.331 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 41.1 mt -60.51 -28.7 68.59 Favored 'General case' 0 C--O 1.231 0.084 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 43.2 t -70.97 -58.35 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 179.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 47.7 mt -64.28 -29.65 47.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 124.433 1.093 . . . . 0.0 110.93 -178.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.0 1.48 23.75 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.221 -0.924 . . . . 0.0 110.612 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 22.9 m170 56.36 59.35 3.69 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 126.731 2.012 . . . . 0.0 108.775 -179.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 14.9 m120 59.49 16.35 5.18 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.482 1.913 . . . . 0.0 113.56 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -93.25 103.68 15.92 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 120.532 -1.355 . . . . 0.0 108.704 179.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 6.1 tp -63.37 -37.95 80.87 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.253 0 C-N-CA 124.411 1.084 . . . . 0.0 112.546 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -65.95 -45.75 80.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 119.016 0.826 . . . . 0.0 109.999 -178.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 12.1 ttt -64.28 -47.62 78.82 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 125.269 1.428 . . . . 0.0 107.17 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.74 -41.78 96.04 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.751 -0.593 . . . . 0.0 110.938 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -57.36 -35.06 69.46 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 123.698 0.799 . . . . 0.0 109.547 178.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -69.71 -41.13 75.76 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-O 118.406 -0.806 . . . . 0.0 109.588 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 51.7 mt -59.47 -48.58 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 N-CA-C 105.722 -1.955 . . . . 0.0 105.722 178.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 96.7 mt -66.87 2.37 1.45 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.392 1.077 . . . . 0.0 112.728 178.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 20.7 ttt85 -121.03 -2.52 9.68 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 120.079 1.309 . . . . 0.0 112.389 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -137.99 4.39 2.5 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.984 1.314 . . . . 0.0 111.739 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -134.75 -69.3 0.52 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.69 1.596 . . . . 0.0 109.784 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 72.8 m . . . . . 0 CA--C 1.541 0.631 0 C-N-CA 124.429 1.092 . . . . 0.0 108.59 179.384 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.5 tt . . . . . 0 N--CA 1.469 0.517 0 CA-C-O 118.251 -0.881 . . . . 0.0 112.958 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 72.4 m -54.3 -22.89 13.12 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.994 1.27 . . . . 0.0 113.129 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.1 m -71.67 -32.35 67.77 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.761 1.224 . . . . 0.0 110.726 179.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -71.56 -29.3 64.58 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.137 1.375 . . . . 0.0 110.47 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.0 mt -59.88 -45.25 95.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 178.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -63.41 -34.14 77.09 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.094 0.958 . . . . 0.0 110.509 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -72.1 -31.7 66.3 Favored 'General case' 0 C--N 1.346 0.418 0 CA-C-N 118.664 0.665 . . . . 0.0 109.439 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.3 mt -71.32 -39.26 71.5 Favored 'General case' 0 C--O 1.227 -0.099 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 178.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.7 mtt -56.07 -34.59 66.1 Favored 'General case' 0 CA--C 1.53 0.2 0 O-C-N 121.953 -0.467 . . . . 0.0 111.673 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.1 m -68.82 -12.25 61.32 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -99.54 -1.18 38.97 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.52 1.528 . . . . 0.0 112.285 -178.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.5 14.17 35.98 Favored Glycine 0 C--N 1.34 0.781 0 CA-C-O 118.83 -0.983 . . . . 0.0 114.21 179.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -96.7 124.18 40.6 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 118.704 1.252 . . . . 0.0 110.748 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.7 m -70.17 152.82 43.84 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.915 1.286 . . . . 0.0 112.026 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -52.99 -43.27 66.31 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.375 0.67 . . . . 0.0 111.982 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -57.62 -56.39 22.5 Favored 'General case' 0 C--O 1.226 -0.152 0 C-N-CA 124.141 0.976 . . . . 0.0 110.258 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -55.96 -43.71 77.78 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 124.729 1.212 . . . . 0.0 110.037 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 65.1 mt -57.59 -50.02 78.65 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 CA-C-N 118.755 0.707 . . . . 0.0 109.71 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -63.85 -38.82 92.51 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.636 0.653 . . . . 0.0 110.197 178.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -63.73 -42.45 97.89 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 120.705 -1.247 . . . . 0.0 109.472 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.76 -38.98 90.55 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.664 -0.647 . . . . 0.0 109.365 178.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.3 mt -63.62 -54.31 37.88 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 123.747 0.819 . . . . 0.0 111.407 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.5 p -56.7 -48.51 80.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 118.717 0.689 . . . . 0.0 110.566 -179.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 76.6 mt -63.31 -29.33 46.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 122.685 0.394 . . . . 0.0 110.308 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.25 15.05 9.59 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.977 0.911 . . . . 0.0 112.017 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.2 m170 55.7 41.29 30.56 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 119.949 1.25 . . . . 0.0 109.946 -178.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 65.51 6.56 3.83 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 128.216 2.606 . . . . 0.0 113.038 -179.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -70.74 100.77 1.95 Allowed 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.26 1.024 . . . . 0.0 108.619 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.41 HG13 ' HE3' ' A' ' 41' ' ' LYS . 4.8 tp -54.84 -46.14 75.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 C-N-CA 123.869 0.867 . . . . 0.0 111.586 -179.296 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -59.82 -45.76 91.36 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 123.057 0.543 . . . . 0.0 111.718 -178.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.8 ttt -65.58 -49.48 68.67 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.917 1.287 . . . . 0.0 107.969 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.14 -38.36 76.4 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.412 0.685 . . . . 0.0 110.776 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.41 ' HE3' HG13 ' A' ' 37' ' ' ILE . 86.9 mttt -60.45 -42.12 95.52 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -63.02 -42.25 99.76 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 118.502 -0.761 . . . . 0.0 109.366 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 68.1 mt -54.83 -58.58 3.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.3 mt -54.51 -36.37 64.15 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 123.799 0.84 . . . . 0.0 112.349 -179.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 43.8 ttt180 -64.85 -34.39 78.27 Favored 'General case' 0 C--O 1.23 0.064 0 N-CA-C 114.309 1.225 . . . . 0.0 114.309 -179.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -100.28 -33.19 10.51 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 118.865 0.757 . . . . 0.0 112.245 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -89.27 -23.67 22.25 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 115.432 1.642 . . . . 0.0 115.432 -177.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.4 t . . . . . 0 C--O 1.236 0.389 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 -179.939 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 7.2 tt . . . . . 0 CA--C 1.534 0.338 0 CA-C-O 119.169 -0.443 . . . . 0.0 110.099 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 3.3 m -58.12 -38.48 76.59 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 119.1 0.864 . . . . 0.0 111.078 178.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 50.7 m -59.86 -35.18 74.26 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.925 0.784 . . . . 0.0 109.774 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -73.45 -32.62 64.46 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.36 0.664 . . . . 0.0 110.499 179.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 82.1 mt -60.44 -45.09 97.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 CA-C-N 119.757 1.162 . . . . 0.0 109.007 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -60.45 -30.6 69.76 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.249 0.22 . . . . 0.0 111.064 -179.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -68.4 -38.92 81.73 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 121.206 -0.934 . . . . 0.0 109.789 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 20.0 mt -63.01 -30.01 71.27 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 119.057 -0.497 . . . . 0.0 110.551 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 34.7 mtt -63.75 -30.68 71.75 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.26 0.936 . . . . 0.0 110.237 179.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 71.1 m -65.67 -29.19 69.72 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.559 0.618 . . . . 0.0 109.907 178.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -82.91 4.78 24.25 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.834 0.854 . . . . 0.0 111.427 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.74 1.6 85.13 Favored Glycine 0 C--N 1.338 0.662 0 C-N-CA 126.105 1.812 . . . . 0.0 115.082 178.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -72.97 138.72 46.25 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 118.592 1.196 . . . . 0.0 110.571 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 75.7 m -78.3 145.85 35.12 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 124.475 1.11 . . . . 0.0 108.945 179.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -53.48 -41.56 66.34 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.193 0.997 . . . . 0.0 111.615 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -60.45 -47.02 87.93 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 118.6 0.636 . . . . 0.0 110.23 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . 0.514 ' HA ' ' HE3' ' B' ' 28' ' ' LYS . 52.9 m-20 -60.42 -46.16 91.03 Favored 'General case' 0 CA--C 1.521 -0.168 0 C-N-CA 123.862 0.865 . . . . 0.0 108.691 178.514 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 50.3 mt -57.04 -47.7 83.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -62.15 -50.43 71.9 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 117.869 -1.062 . . . . 0.0 111.26 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.514 ' HE3' ' HA ' ' B' ' 25' ' ' ASP . 43.6 mtmt -55.23 -46.48 75.98 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 124.848 1.259 . . . . 0.0 109.717 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.32 -42.43 98.67 Favored 'General case' 0 C--O 1.223 -0.312 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 24.7 mt -65.16 -29.01 69.81 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-O 117.973 -1.013 . . . . 0.0 111.727 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 39.5 t -72.51 -55.63 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.099 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 178.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 55.5 mt -62.84 -24.71 36.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 C-N-CA 124.79 1.236 . . . . 0.0 112.12 -178.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.06 5.58 40.37 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 120.759 -1.213 . . . . 0.0 110.087 178.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 17.2 m170 54.2 58.51 4.92 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.284 1.834 . . . . 0.0 108.138 -178.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 13.8 m120 60.13 6.94 1.07 Allowed 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 128.293 2.637 . . . . 0.0 113.893 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -82.06 104.31 12.32 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 120.66 -1.275 . . . . 0.0 111.353 -179.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 4.6 tp -60.44 -39.54 81.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 123.644 0.778 . . . . 0.0 112.16 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -59.0 -47.77 84.01 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 119.215 0.916 . . . . 0.0 110.744 -179.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 12.0 ttt -66.33 -46.28 77.4 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 124.858 1.263 . . . . 0.0 108.682 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.65 -39.79 85.57 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.284 0.493 . . . . 0.0 111.333 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -56.77 -45.5 82.07 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -62.88 -37.75 88.14 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-O 118.074 -0.965 . . . . 0.0 111.982 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 68.2 mt -59.2 -57.21 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-N 119.888 1.222 . . . . 0.0 107.868 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 31.2 mt -56.79 -35.0 68.21 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 125.127 1.371 . . . . 0.0 111.026 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 36.4 ttt180 -63.53 -27.3 69.17 Favored 'General case' 0 C--O 1.228 -0.067 0 N-CA-C 114.325 1.232 . . . . 0.0 114.325 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -109.67 -47.82 3.31 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 119.894 1.225 . . . . 0.0 111.324 -178.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -72.63 -59.39 2.74 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 122.976 0.51 . . . . 0.0 111.429 -179.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.536 0.418 0 CA-C-O 122.123 0.963 . . . . 0.0 110.838 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.4 mp . . . . . 0 CA--C 1.531 0.217 0 CA-C-O 118.537 -0.744 . . . . 0.0 112.274 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.6 m -65.0 -29.96 70.92 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 120.232 1.378 . . . . 0.0 109.526 178.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 56.8 m -68.24 -19.73 64.76 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 118.79 0.723 . . . . 0.0 110.542 178.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -78.57 -26.58 45.59 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.045 -1.035 . . . . 0.0 108.834 179.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.49 -45.85 97.78 Favored 'Isoleucine or valine' 0 C--N 1.343 0.304 0 N-CA-C 105.712 -1.959 . . . . 0.0 105.712 178.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -59.74 -28.37 67.3 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.632 0.773 . . . . 0.0 111.105 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -84.91 -34.67 22.49 Favored 'General case' 0 C--N 1.342 0.257 0 CA-C-N 119.037 0.835 . . . . 0.0 110.856 179.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.0 mt -69.14 -33.02 72.79 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 118.762 -0.637 . . . . 0.0 110.185 179.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.0 mtt -53.34 -44.77 68.76 Favored 'General case' 0 C--N 1.341 0.208 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 m -60.14 1.11 0.12 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 127.249 2.22 . . . . 0.0 115.502 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -111.9 -7.58 14.15 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.604 1.162 . . . . 0.0 110.915 178.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.14 -4.22 31.64 Favored Glycine 0 C--N 1.337 0.631 0 C-N-CA 125.541 1.543 . . . . 0.0 113.901 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -76.79 118.22 19.18 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 118.946 1.373 . . . . 0.0 108.274 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.4 m -66.46 155.89 36.27 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -50.52 -43.92 56.08 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.752 0.821 . . . . 0.0 112.316 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -60.24 -45.24 93.93 Favored 'General case' 0 C--O 1.224 -0.266 0 C-N-CA 123.083 0.553 . . . . 0.0 110.814 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -61.48 -46.49 89.81 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.8 mt -58.8 -46.48 90.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -59.89 -51.39 69.89 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 124.646 1.178 . . . . 0.0 110.535 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.3 mtpt -56.71 -46.09 81.46 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 124.109 0.964 . . . . 0.0 109.453 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.19 -41.49 97.07 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 118.864 0.756 . . . . 0.0 110.458 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 27.6 mt -61.73 -54.4 43.08 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 118.754 0.706 . . . . 0.0 111.844 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.6 p -57.49 -39.53 69.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 CA-C-N 118.661 0.664 . . . . 0.0 111.646 -178.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.8 mt -71.39 -33.18 49.13 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 O-C-N 121.425 -0.797 . . . . 0.0 110.078 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.31 4.05 32.85 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.177 1.391 . . . . 0.0 111.807 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 21.7 m170 58.48 53.36 6.28 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.488 1.515 . . . . 0.0 108.474 -178.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 44.5 t30 62.42 6.01 1.8 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 127.817 2.447 . . . . 0.0 114.001 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -75.06 103.65 5.33 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 119.106 0.867 . . . . 0.0 108.717 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 8.6 tp -60.88 -40.42 85.18 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 123.27 0.628 . . . . 0.0 112.616 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.42 -40.26 95.98 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 119.284 0.947 . . . . 0.0 111.096 -178.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 21.1 ttt -74.05 -46.96 39.98 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 125.174 1.39 . . . . 0.0 108.204 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.72 -38.57 78.64 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.228 1.011 . . . . 0.0 110.568 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -59.57 -43.09 93.7 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 118.14 -0.934 . . . . 0.0 109.468 178.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -60.0 -44.4 94.57 Favored 'General case' 0 N--CA 1.458 -0.031 0 CA-C-O 118.555 -0.736 . . . . 0.0 109.704 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 63.7 mt -53.94 -55.91 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.4 mt -58.84 -41.1 86.14 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 123.499 0.719 . . . . 0.0 112.902 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -73.73 -6.83 49.32 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 116.103 1.89 . . . . 0.0 116.103 -178.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.477 ' HB3' ' HE3' ' B' ' 28' ' ' LYS . 44.1 mm-40 -120.13 -40.42 2.72 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -179.345 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -92.24 -31.0 15.59 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 119.228 0.922 . . . . 0.0 111.417 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.2 m . . . . . 0 C--O 1.239 0.548 0 C-N-CA 124.823 1.249 . . . . 0.0 108.064 179.335 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 9.8 mp . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 15.8 m -55.01 -38.36 67.79 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 124.801 1.241 . . . . 0.0 109.837 178.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.78 -41.79 64.65 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.531 1.532 . . . . 0.0 110.3 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -63.18 -38.73 92.33 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.4 1.08 . . . . 0.0 110.243 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 50.3 mt -58.18 -41.67 81.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 C-N-CA 124.803 1.241 . . . . 0.0 108.817 179.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -65.9 -25.35 67.12 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 121.759 -0.588 . . . . 0.0 111.576 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -80.98 -26.14 36.78 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 119.359 0.981 . . . . 0.0 109.534 178.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 14.7 mt -68.56 -37.01 79.55 Favored 'General case' 0 C--O 1.232 0.16 0 O-C-N 121.378 -0.826 . . . . 0.0 109.076 179.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 54.4 mtt -55.8 -40.12 72.26 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 123.648 0.779 . . . . 0.0 109.833 178.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 2.7 m -57.94 -18.91 26.43 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.529 1.531 . . . . 0.0 112.9 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -93.39 -22.41 18.94 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 119.531 1.059 . . . . 0.0 110.832 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.52 -20.81 5.47 Favored Glycine 0 C--N 1.337 0.637 0 C-N-CA 124.502 1.048 . . . . 0.0 114.226 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -58.04 122.02 12.03 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 9.7 m -68.78 158.24 34.76 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.967 0.413 . . . . 0.0 110.289 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -55.66 -45.2 77.75 Favored 'General case' 0 N--CA 1.455 -0.201 0 O-C-N 121.676 -0.64 . . . . 0.0 111.72 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -62.02 -39.8 93.53 Favored 'General case' 0 N--CA 1.457 -0.093 0 CA-C-O 118.938 -0.553 . . . . 0.0 111.101 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -63.54 -47.59 80.97 Favored 'General case' 0 CA--C 1.52 -0.175 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 53.9 mt -58.47 -51.76 67.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -57.06 -44.12 82.74 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 118.688 0.676 . . . . 0.0 110.473 179.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.477 ' HE3' ' HB3' ' A' ' 46' ' ' GLU . 34.2 mtpt -60.0 -46.59 88.98 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 123.699 0.8 . . . . 0.0 109.727 179.281 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.75 -46.5 87.76 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.566 -0.709 . . . . 0.0 109.597 179.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -57.96 -56.8 17.37 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.58 0.752 . . . . 0.0 111.718 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 6.0 p -56.09 -47.31 80.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 118.228 0.467 . . . . 0.0 111.901 -178.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 88.9 mt -65.12 -33.78 66.08 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 CA-C-O 119.018 -0.515 . . . . 0.0 110.034 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.93 12.48 1.35 Allowed 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.055 0.843 . . . . 0.0 111.171 178.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 19.9 m170 60.52 34.88 20.29 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.55 1.54 . . . . 0.0 108.401 -178.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 61.2 t30 76.32 4.97 3.67 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 129.748 3.219 . . . . 0.0 113.364 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -75.34 105.25 6.27 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 120.465 -1.397 . . . . 0.0 109.427 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 6.6 tp -57.48 -39.4 68.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 125.218 1.407 . . . . 0.0 113.463 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -65.4 -47.1 77.45 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 124.148 0.979 . . . . 0.0 110.13 -178.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 15.2 ttt -65.83 -41.65 91.52 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 125.636 1.574 . . . . 0.0 108.174 179.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.86 -36.08 83.19 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.236 1.015 . . . . 0.0 111.218 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -61.91 -40.09 94.26 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -62.4 -40.34 96.2 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-O 118.522 -0.751 . . . . 0.0 109.407 178.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 69.9 mt -58.13 -55.88 19.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 62.1 mt -55.56 -49.24 73.21 Favored 'General case' 0 C--O 1.223 -0.33 0 C-N-CA 123.136 0.575 . . . . 0.0 110.968 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 33.1 ttm-85 -61.36 -41.51 97.19 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -79.64 -31.4 41.54 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 115.826 1.788 . . . . 0.0 115.826 -177.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -107.17 -51.18 2.96 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 119.56 1.073 . . . . 0.0 112.967 -178.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 14.0 m . . . . . 0 CA--C 1.537 0.443 0 C-N-CA 125.252 1.421 . . . . 0.0 110.938 -179.701 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 mm? . . . . . 0 C--O 1.227 -0.117 0 N-CA-C 115.72 1.748 . . . . 0.0 115.72 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.55 -47.06 76.97 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 121.165 1.802 . . . . 0.0 110.302 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.3 p -69.63 -31.22 69.19 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 125.34 1.456 . . . . 0.0 110.813 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -66.57 -27.55 67.82 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 121.283 -0.886 . . . . 0.0 110.386 178.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.5 mt -66.22 -46.53 87.16 Favored 'Isoleucine or valine' 0 C--N 1.341 0.221 0 N-CA-C 105.557 -2.016 . . . . 0.0 105.557 178.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -57.41 -42.23 81.87 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 117.989 0.359 . . . . 0.0 110.546 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -60.78 -33.33 72.81 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 118.979 -0.534 . . . . 0.0 110.061 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 32.8 mt -76.56 -24.57 53.57 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 119.061 0.846 . . . . 0.0 111.86 179.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 64.3 mtt -60.33 -32.22 71.04 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.0 m -64.21 -13.24 47.62 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 125.773 1.629 . . . . 0.0 113.416 179.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -93.51 -19.17 21.49 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.913 0.779 . . . . 0.0 109.437 178.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.51 6.3 27.23 Favored Glycine 0 CA--C 1.534 1.265 0 CA-C-O 118.573 -1.126 . . . . 0.0 113.998 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -81.35 151.07 28.16 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 119.272 1.536 . . . . 0.0 107.625 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.9 m -86.86 152.01 22.83 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.713 -0.617 . . . . 0.0 110.964 179.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -51.25 -49.86 60.33 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 124.81 1.244 . . . . 0.0 112.191 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -60.42 -48.61 81.0 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.545 0.738 . . . . 0.0 110.871 -178.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -56.13 -44.9 79.63 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.989 0.813 . . . . 0.0 109.658 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.0 mt -59.76 -45.13 94.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -63.49 -41.01 98.56 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.956 0.798 . . . . 0.0 110.516 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -62.45 -48.1 81.12 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 120.294 1.406 . . . . 0.0 108.278 178.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.39 -40.46 86.66 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.746 -0.596 . . . . 0.0 110.945 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 22.5 mt -65.93 -48.53 71.06 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-O 118.072 -0.966 . . . . 0.0 112.347 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.2 -39.42 85.19 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 CA-C-N 119.293 0.952 . . . . 0.0 111.333 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.7 mt -71.2 -27.49 29.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 O-C-N 121.05 -1.032 . . . . 0.0 109.152 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.24 12.79 14.98 Favored 'General case' 0 N--CA 1.449 -0.523 0 O-C-N 120.966 -1.084 . . . . 0.0 111.109 179.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 10.3 m170 51.82 53.43 12.65 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 122.864 1.316 . . . . 0.0 110.266 -179.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 63.18 4.32 1.58 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 127.416 2.287 . . . . 0.0 113.601 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -77.27 106.17 8.84 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 120.302 1.41 . . . . 0.0 110.502 -179.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.1 tp -59.98 -43.24 91.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 123.939 0.895 . . . . 0.0 112.894 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -62.77 -46.45 87.94 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 119.772 1.169 . . . . 0.0 111.401 -178.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 16.3 ttt -63.01 -49.03 76.28 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.38 -42.33 81.92 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.885 0.874 . . . . 0.0 111.399 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -58.57 -41.73 86.36 Favored 'General case' 0 C--O 1.233 0.231 0 O-C-N 121.604 -0.685 . . . . 0.0 109.572 179.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -65.04 -37.23 86.91 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-O 117.907 -1.044 . . . . 0.0 109.682 179.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.4 mt -58.9 -54.83 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 106.209 -1.774 . . . . 0.0 106.209 178.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.0 mt -56.28 -35.99 68.1 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.315 0.646 . . . . 0.0 112.327 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.95 -36.74 84.94 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 119.721 1.146 . . . . 0.0 113.71 -179.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -104.08 -18.5 14.52 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -179.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -112.12 -17.35 12.84 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 CA--C 1.54 0.569 0 C-N-CA 126.296 1.838 . . . . 0.0 108.11 -179.704 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 10.2 mp . . . . . 0 N--CA 1.462 0.172 0 CA-C-O 118.342 -0.837 . . . . 0.0 112.341 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.87 -45.43 71.0 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.348 1.059 . . . . 0.0 111.329 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 15.8 p -62.11 -30.2 70.85 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.07 0.548 . . . . 0.0 111.927 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -78.64 -23.15 45.97 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.444 1.098 . . . . 0.0 111.777 -178.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 67.2 mt -66.91 -49.32 75.03 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 N-CA-C 106.051 -1.833 . . . . 0.0 106.051 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -60.29 -30.46 69.48 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 122.163 -0.336 . . . . 0.0 111.54 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 79.5 mtt180 -70.81 -37.93 73.29 Favored 'General case' 0 C--N 1.34 0.175 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 20.8 mt -70.94 -31.01 67.48 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 118.924 -0.56 . . . . 0.0 111.187 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 17.9 mtt -57.86 -33.0 68.2 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 118.761 0.71 . . . . 0.0 111.069 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 10.6 m -61.36 -23.15 65.57 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.728 0.811 . . . . 0.0 112.553 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -87.12 -1.81 58.16 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.384 -0.823 . . . . 0.0 111.138 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.65 -0.2 56.65 Favored Glycine 0 CA--C 1.523 0.576 0 CA-C-O 118.347 -1.252 . . . . 0.0 114.54 179.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -73.79 123.72 24.7 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 119.142 1.471 . . . . 0.0 108.846 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 6.0 m -62.81 155.96 25.34 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 118.504 0.593 . . . . 0.0 109.547 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -57.56 -47.16 82.84 Favored 'General case' 0 C--O 1.232 0.169 0 O-C-N 121.611 -0.681 . . . . 0.0 110.97 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -61.6 -43.44 98.86 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 118.61 -0.71 . . . . 0.0 110.952 -178.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -54.95 -50.52 68.69 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 31.3 mt -58.5 -44.53 89.26 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 O-C-N 121.093 -1.004 . . . . 0.0 109.072 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -59.92 -47.72 84.64 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.509 -0.744 . . . . 0.0 111.305 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -61.75 -46.96 87.36 Favored 'General case' 0 CA--C 1.52 -0.181 0 C-N-CA 123.653 0.781 . . . . 0.0 109.525 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.76 -43.89 97.41 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 119.047 -0.501 . . . . 0.0 109.953 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 33.6 mt -63.32 -47.3 82.78 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 119.103 0.865 . . . . 0.0 113.322 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 9.9 p -64.52 -47.04 90.85 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 CA-C-O 118.629 -0.701 . . . . 0.0 109.915 -179.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 58.5 mt -65.23 -35.47 75.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.47 1.96 15.08 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.132 -0.98 . . . . 0.0 111.944 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 31.9 m170 60.95 56.51 2.83 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 126.128 1.771 . . . . 0.0 110.435 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 56.5 29.6 15.69 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 126.357 1.863 . . . . 0.0 113.382 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -106.22 103.6 13.11 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 7.2 tp -60.77 -37.3 75.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 C-N-CA 123.374 0.67 . . . . 0.0 112.526 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -70.25 -36.82 74.71 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.506 1.048 . . . . 0.0 112.368 -178.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 12.7 ttt -73.39 -48.9 30.28 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 106.497 -1.668 . . . . 0.0 106.497 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.38 -39.66 84.07 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.973 0.909 . . . . 0.0 110.088 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -55.88 -43.9 77.62 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 123.717 0.807 . . . . 0.0 108.999 178.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 46.6 m-20 -65.26 -36.21 83.43 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-O 118.585 -0.721 . . . . 0.0 110.444 178.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 68.6 mt -60.71 -50.7 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 178.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.71 -37.87 83.15 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.329 0.652 . . . . 0.0 111.873 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -68.46 -33.23 73.82 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 -178.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -92.95 -53.24 4.23 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.602 0.637 . . . . 0.0 112.536 -178.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -78.23 -51.71 9.77 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 121.637 -0.665 . . . . 0.0 111.774 -178.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.546 0.792 0 C-N-CA 124.272 1.029 . . . . 0.0 110.75 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.6 mp . . . . . 0 N--CA 1.469 0.52 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.63 -29.69 62.48 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.931 1.292 . . . . 0.0 109.7 178.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 62.9 p -63.56 -42.42 98.34 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.855 1.207 . . . . 0.0 109.973 178.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -64.17 -34.01 77.09 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.162 1.385 . . . . 0.0 110.739 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 59.9 mt -59.69 -45.5 94.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -65.45 -17.32 64.46 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 123.048 0.539 . . . . 0.0 111.946 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -87.85 -38.27 15.81 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 178.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.1 mt -61.19 -34.5 75.17 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 33.6 mtt -60.39 -40.0 89.3 Favored 'General case' 0 C--N 1.339 0.151 0 CA-C-N 118.43 0.559 . . . . 0.0 110.37 178.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.7 t -66.92 -25.7 66.5 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -73.21 -29.08 62.55 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 119.241 0.928 . . . . 0.0 109.747 178.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 133.18 -20.65 4.2 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 124.748 1.166 . . . . 0.0 113.529 179.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -67.13 131.84 46.61 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.449 1.124 . . . . 0.0 111.992 -178.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.21 153.06 43.54 Favored 'General case' 0 CA--C 1.53 0.192 0 O-C-N 121.781 -0.574 . . . . 0.0 110.14 179.494 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -59.62 -37.68 79.28 Favored 'General case' 0 C--O 1.236 0.382 0 O-C-N 121.532 -0.73 . . . . 0.0 110.826 179.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -58.58 -54.91 41.76 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.91 -52.44 57.68 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 127.897 2.479 . . . . 0.0 109.921 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 55.1 mt -53.3 -54.45 17.84 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 C-N-CA 124.324 1.05 . . . . 0.0 110.325 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -64.59 -50.81 65.77 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 117.428 -1.273 . . . . 0.0 109.866 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -48.61 -41.9 32.36 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 120.427 1.467 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.91 -47.27 63.1 Favored 'General case' 0 C--O 1.228 -0.075 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.2 mt -56.61 -47.56 79.35 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-O 117.982 -1.009 . . . . 0.0 111.061 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.9 t -54.62 -53.04 35.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-N 119.37 0.986 . . . . 0.0 109.487 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.16 -36.39 75.78 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 C-N-CA 123.324 0.65 . . . . 0.0 110.399 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.24 15.65 1.15 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.098 1.359 . . . . 0.0 112.201 179.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 30.2 m170 55.45 38.72 30.66 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 120.082 1.31 . . . . 0.0 109.961 -178.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 33.6 m120 65.8 16.76 10.62 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 128.705 2.802 . . . . 0.0 113.355 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -81.18 111.27 17.45 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.424 1.09 . . . . 0.0 108.385 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.1 tp -61.52 -42.37 93.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 124.294 1.037 . . . . 0.0 113.745 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -66.72 -46.06 76.72 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.15 -0.969 . . . . 0.0 110.424 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 16.3 ttt -61.94 -48.74 79.08 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.74 -39.84 86.11 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.506 0.723 . . . . 0.0 111.261 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -57.75 -43.18 85.24 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 123.505 0.722 . . . . 0.0 109.897 178.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -62.37 -42.35 99.34 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 123.923 0.764 . . . . 0.0 109.022 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 39.2 mt -57.21 -55.69 19.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.3 mt -55.04 -45.56 75.23 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.271 0.628 . . . . 0.0 111.683 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.6 ttt180 -64.23 -40.27 95.69 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -178.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -89.59 -22.98 22.08 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 115.615 1.709 . . . . 0.0 115.615 -178.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -112.21 -20.86 11.73 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 119.945 1.248 . . . . 0.0 113.78 -179.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.6 t . . . . . 0 CA--C 1.539 0.534 0 C-N-CA 125.238 1.415 . . . . 0.0 109.089 179.459 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 10.9 mp . . . . . 0 N--CA 1.478 0.955 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.15 -32.18 54.62 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.73 1.212 . . . . 0.0 110.334 178.581 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 13.4 p -65.26 -42.69 92.98 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 118.432 0.56 . . . . 0.0 110.344 178.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -64.69 -38.31 90.55 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 90.4 mt -61.41 -43.24 96.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 N-CA-C 107.548 -1.278 . . . . 0.0 107.548 178.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -62.86 -38.47 90.96 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 118.604 0.638 . . . . 0.0 109.949 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 -68.3 -36.76 79.83 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 118.143 -0.932 . . . . 0.0 109.967 179.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 85.6 mt -66.55 -39.43 88.53 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 14.5 mtm -63.18 -43.42 98.27 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 178.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 9.5 t -62.32 -38.72 90.55 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.145 0.978 . . . . 0.0 109.312 178.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -59.02 -35.17 72.83 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-N 119.443 1.02 . . . . 0.0 109.979 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 145.17 -5.01 1.39 Allowed Glycine 0 C--N 1.337 0.623 0 CA-C-O 118.511 -1.161 . . . . 0.0 113.864 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -82.93 165.33 19.82 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 119.455 1.627 . . . . 0.0 110.831 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 55.7 m -102.81 152.35 21.36 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 125.19 1.396 . . . . 0.0 108.797 179.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -55.33 -36.56 66.38 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.542 0.337 . . . . 0.0 111.011 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -54.31 -63.87 1.01 Allowed 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.554 1.142 . . . . 0.0 111.3 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -57.12 -44.86 83.72 Favored 'General case' 0 CA--C 1.517 -0.319 0 C-N-CA 124.867 1.267 . . . . 0.0 111.474 -178.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 31.4 mt -59.85 -46.91 93.25 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -63.75 -55.43 23.27 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 118.701 -0.666 . . . . 0.0 110.227 179.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mtpp -50.79 -39.51 52.92 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.299 0.954 . . . . 0.0 110.702 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.43 -53.84 17.33 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-O 118.317 -0.849 . . . . 0.0 108.766 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 15.0 mt -52.33 -47.2 66.15 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.232 1.413 . . . . 0.0 112.246 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 55.0 t -56.43 -57.69 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 C-N-CA 125.484 1.514 . . . . 0.0 108.504 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 62.0 mt -66.81 -25.27 34.22 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 C-N-CA 123.06 0.544 . . . . 0.0 110.424 -179.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.74 15.33 3.3 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.755 1.622 . . . . 0.0 111.885 179.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 40.6 m170 52.66 45.77 28.02 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.322 1.049 . . . . 0.0 110.756 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 27.5 m120 62.45 25.39 15.14 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.389 1.876 . . . . 0.0 113.808 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -99.33 110.27 22.8 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.73 1.212 . . . . 0.0 108.816 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 5.0 tp -62.26 -37.26 78.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 124.48 1.112 . . . . 0.0 113.097 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -72.67 -45.01 61.04 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 124.168 0.987 . . . . 0.0 111.38 -178.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 19.1 ttt -60.64 -46.39 90.49 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 178.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.34 -37.87 81.99 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 118.612 -0.708 . . . . 0.0 110.363 178.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -61.17 -39.89 91.83 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 120.351 1.432 . . . . 0.0 109.329 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -60.98 -42.14 97.78 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 57.6 mt -60.25 -50.03 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 N-CA-C 106.884 -1.524 . . . . 0.0 106.884 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.25 -6.78 7.46 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.499 0.719 . . . . 0.0 112.342 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -96.48 -66.07 0.93 Allowed 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 119.847 1.203 . . . . 0.0 109.959 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -74.4 0.39 14.68 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 115.111 1.522 . . . . 0.0 115.111 -177.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -134.88 -58.86 0.8 Allowed 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 119.003 0.82 . . . . 0.0 109.589 178.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 CA--C 1.54 0.574 0 O-C-N 121.986 -0.446 . . . . 0.0 112.175 -179.513 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.553 0 N-CA-C 109.137 -1.585 . . . . 0.0 109.137 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t -48.46 138.54 10.15 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.403 1.481 . . . . 0.0 111.106 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.7 p -70.41 -54.32 12.89 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 122.569 0.348 . . . . 0.0 111.692 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.51 -46.11 1.08 Allowed Glycine 0 C--N 1.337 0.585 0 C-N-CA 124.589 1.09 . . . . 0.0 112.465 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.5 m -134.33 169.99 16.4 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 125.472 1.509 . . . . 0.0 109.434 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 p -142.78 165.81 26.36 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 126.63 1.972 . . . . 0.0 108.594 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.59 -24.12 1.51 Allowed Glycine 0 CA--C 1.527 0.832 0 C-N-CA 124.747 1.165 . . . . 0.0 111.382 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -146.85 169.57 18.85 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 125.868 1.667 . . . . 0.0 108.907 178.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 tp -129.8 -23.2 2.85 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 126.771 2.028 . . . . 0.0 108.548 178.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.2 m -57.61 -31.07 65.85 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.206 1.402 . . . . 0.0 108.82 178.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.2 p -57.06 -21.23 29.94 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 127.614 2.366 . . . . 0.0 111.528 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -102.68 -29.55 11.45 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 125.009 1.324 . . . . 0.0 110.851 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 76.6 mt -61.52 -42.74 95.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 178.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -60.42 -37.55 81.23 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 125.11 1.364 . . . . 0.0 110.711 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 83.0 mtt-85 -74.82 -33.6 62.22 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 121.451 -0.781 . . . . 0.0 110.395 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.4 mt -67.52 -30.68 70.41 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 118.662 -0.685 . . . . 0.0 110.703 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 55.6 mtt -61.26 -40.58 94.61 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 177.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.4 t -57.49 -44.0 84.62 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.245 1.418 . . . . 0.0 110.349 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -63.4 -19.65 64.86 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.402 0.681 . . . . 0.0 112.335 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.83 2.02 34.37 Favored Glycine 0 C--N 1.335 0.504 0 CA-C-O 118.313 -1.27 . . . . 0.0 112.935 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -75.47 131.27 40.01 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 106.591 -1.633 . . . . 0.0 106.591 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.7 t -69.38 161.25 29.77 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 118.527 0.603 . . . . 0.0 110.707 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -56.11 -43.49 78.19 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -61.52 -48.01 83.0 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 123.292 0.637 . . . . 0.0 110.604 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -56.71 -47.11 80.65 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.139 0.976 . . . . 0.0 110.296 -179.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.1 mt -57.73 -50.83 76.24 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -60.77 -55.48 32.66 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-O 118.432 -0.794 . . . . 0.0 110.573 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -48.21 -41.26 26.84 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.58 1.082 . . . . 0.0 111.051 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.01 -46.0 69.11 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 118.633 0.651 . . . . 0.0 109.598 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 23.2 mt -57.79 -45.66 85.72 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 118.903 0.774 . . . . 0.0 110.526 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 83.7 t -55.9 -48.94 77.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 C-N-CA 124.727 1.211 . . . . 0.0 111.222 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.8 mt -74.67 -32.15 28.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 C-N-CA 123.488 0.715 . . . . 0.0 110.814 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.31 2.76 20.3 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.148 0.979 . . . . 0.0 111.959 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 42.5 m170 59.33 49.96 8.3 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.933 1.693 . . . . 0.0 109.306 -178.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.8 m120 62.47 15.92 8.23 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 129.424 3.09 . . . . 0.0 113.978 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -80.81 105.73 12.27 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.7 tp -62.92 -38.31 81.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 118.879 0.763 . . . . 0.0 112.052 -179.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -62.76 -50.44 71.04 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 119.875 1.216 . . . . 0.0 110.719 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 16.2 ttt -60.55 -44.74 95.8 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 125.161 1.384 . . . . 0.0 108.045 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.1 -41.05 99.3 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 122.841 0.456 . . . . 0.0 110.637 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 43.2 mttm -61.77 -41.12 97.29 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -59.37 -43.4 92.87 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 123.455 0.702 . . . . 0.0 110.308 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 97.0 mt -54.74 -55.45 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 72.1 mt -56.65 -43.59 80.49 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.34 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 -66.37 -17.69 64.92 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -117.08 -10.96 10.79 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 120.376 1.444 . . . . 0.0 112.195 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -123.56 -47.97 1.95 Allowed 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.0 t -84.32 -9.38 58.52 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.799 0.84 . . . . 0.0 109.897 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.18 -176.21 40.66 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 126.525 2.012 . . . . 0.0 110.377 178.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -73.74 106.03 2.12 Favored 'Trans proline' 0 N--CA 1.454 -0.796 0 C-N-CA 122.995 2.463 . . . . 0.0 111.315 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.9 t -60.9 -43.44 98.53 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 179.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.0 m -127.0 153.06 46.4 Favored 'General case' 0 C--O 1.241 0.613 0 N-CA-C 107.532 -1.285 . . . . 0.0 107.532 178.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.219 0 N-CA-C 108.116 -1.994 . . . . 0.0 108.116 -179.225 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.659 0 CA-C-O 118.099 -1.389 . . . . 0.0 109.83 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 4.7 m -13.83 102.4 0.02 OUTLIER 'General case' 0 C--O 1.236 0.363 0 C-N-CA 129.252 3.021 . . . . 0.0 115.959 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.7 p -69.88 -21.33 63.34 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.751 -0.593 . . . . 0.0 110.585 178.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.72 -101.13 2.74 Favored Glycine 0 C--N 1.335 0.489 0 N-CA-C 106.303 -2.719 . . . . 0.0 106.303 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -67.99 154.64 41.2 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 121.451 0.643 . . . . 0.0 109.446 179.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 47.9 p -147.08 159.31 43.74 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 125.845 1.658 . . . . 0.0 107.123 178.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.56 -35.77 0.31 Allowed Glycine 0 CA--C 1.525 0.668 0 CA-C-O 119.037 -0.868 . . . . 0.0 111.786 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -149.62 166.5 29.11 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.594 1.557 . . . . 0.0 108.744 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 9.5 mp -111.76 -12.39 13.85 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 126.308 1.843 . . . . 0.0 110.946 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 1.5 m -48.8 -42.43 35.88 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.58 1.552 . . . . 0.0 112.021 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.84 -32.63 74.21 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.562 1.145 . . . . 0.0 113.255 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -78.12 -30.11 49.25 Favored 'General case' 0 C--O 1.23 0.06 0 CA-C-N 118.652 0.66 . . . . 0.0 110.977 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.16 -41.65 93.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 N-CA-C 106.158 -1.793 . . . . 0.0 106.158 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -65.1 -38.04 89.45 Favored 'General case' 0 C--O 1.233 0.214 0 O-C-N 121.865 -0.522 . . . . 0.0 110.195 178.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 84.2 mtt-85 -65.64 -33.49 76.02 Favored 'General case' 0 C--N 1.343 0.315 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 35.6 mt -70.09 -32.7 70.89 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 118.42 -0.8 . . . . 0.0 110.963 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 39.4 mtt -63.14 -36.41 83.53 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 119.254 0.934 . . . . 0.0 108.558 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.34 -35.62 72.19 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.478 1.511 . . . . 0.0 109.932 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -68.39 -31.43 70.78 Favored 'General case' 0 N--CA 1.457 -0.125 0 O-C-N 121.406 -0.809 . . . . 0.0 110.771 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.07 -13.93 6.65 Favored Glycine 0 CA--C 1.523 0.551 0 C-N-CA 125.162 1.363 . . . . 0.0 112.995 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -64.09 136.78 57.57 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.541 1.171 . . . . 0.0 108.627 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 10.2 t -79.63 153.3 29.48 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -52.63 -41.56 63.84 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 123.985 0.914 . . . . 0.0 111.636 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -58.35 -54.84 42.41 Favored 'General case' 0 C--N 1.342 0.252 0 CA-C-N 118.702 0.683 . . . . 0.0 109.562 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -59.65 -41.42 90.49 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.934 0.893 . . . . 0.0 110.533 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 60.4 mt -58.71 -47.5 88.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 CA-C-N 119.582 1.083 . . . . 0.0 108.559 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -62.79 -49.48 74.79 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 118.014 -0.993 . . . . 0.0 108.982 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -54.24 -40.18 67.48 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 120.633 1.561 . . . . 0.0 111.131 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.16 -47.8 81.12 Favored 'General case' 0 N--CA 1.463 0.225 0 O-C-N 121.52 -0.738 . . . . 0.0 109.024 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 20.8 mt -59.09 -45.67 90.26 Favored 'General case' 0 CA--C 1.522 -0.116 0 C-N-CA 123.91 0.884 . . . . 0.0 110.155 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 78.6 t -55.04 -57.69 6.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 C-N-CA 125.245 1.418 . . . . 0.0 109.154 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 39.8 mt -63.65 -23.55 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 C-N-CA 123.315 0.646 . . . . 0.0 111.877 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.13 9.18 29.29 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 119.924 1.238 . . . . 0.0 111.2 179.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 10.5 m170 56.96 51.7 10.27 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.955 1.302 . . . . 0.0 107.907 -178.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 6.9 m120 69.95 -7.2 0.96 Allowed 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 129.469 3.107 . . . . 0.0 113.295 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -65.64 100.8 0.55 Allowed 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 119.985 1.266 . . . . 0.0 113.004 -177.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 4.7 tp -61.65 -40.77 87.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 124.801 1.24 . . . . 0.0 111.632 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -59.36 -49.77 76.52 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 119.53 1.059 . . . . 0.0 109.601 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 16.2 ttt -64.39 -53.09 53.93 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 126.376 1.87 . . . . 0.0 109.123 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.79 -39.87 68.87 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.473 1.109 . . . . 0.0 111.341 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -62.34 -40.8 97.59 Favored 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 178.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -61.19 -40.45 93.97 Favored 'General case' 0 C--N 1.339 0.129 0 CA-C-O 118.384 -0.817 . . . . 0.0 109.077 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 8.3 mt -60.55 -57.16 13.22 Favored 'Isoleucine or valine' 0 C--N 1.343 0.32 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 73.7 mt -52.33 -48.74 65.29 Favored 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 124.201 1.0 . . . . 0.0 109.965 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -61.45 -25.47 67.25 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 124.875 1.27 . . . . 0.0 114.174 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -99.3 -37.9 9.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 119.748 1.158 . . . . 0.0 113.26 -178.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -94.31 -60.39 1.74 Allowed 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 124.739 1.216 . . . . 0.0 111.751 -178.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.39 -8.63 56.69 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.852 0.861 . . . . 0.0 111.071 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.96 173.5 29.27 Favored Glycine 0 CA--C 1.53 0.993 0 C-N-CA 127.173 2.321 . . . . 0.0 109.021 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -71.59 99.64 0.96 Allowed 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 122.755 2.303 . . . . 0.0 112.938 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 9.8 t -80.74 34.7 0.34 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.275 1.43 . . . . 0.0 109.994 178.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 28.0 m -166.6 -171.16 1.8 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 127.715 2.406 . . . . 0.0 108.85 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.81 0 N-CA-C 108.328 -1.909 . . . . 0.0 108.328 179.583 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.054 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.23 118.42 3.5 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 118.193 0.996 . . . . 0.0 112.013 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.0 p -81.24 -168.55 1.88 Allowed 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.451 1.1 . . . . 0.0 109.048 178.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.56 -154.11 20.89 Favored Glycine 0 C--N 1.336 0.537 0 O-C-N 120.582 -1.324 . . . . 0.0 110.797 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.1 p -147.07 172.94 12.97 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 123.518 0.727 . . . . 0.0 110.547 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.0 m -121.34 175.47 6.13 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 123.749 0.82 . . . . 0.0 111.736 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.42 -11.94 30.78 Favored Glycine 0 CA--C 1.53 1.021 0 C-N-CA 127.855 2.645 . . . . 0.0 113.397 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -148.75 145.93 27.83 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 119.338 1.569 . . . . 0.0 109.296 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.5 mp -98.84 -26.76 14.2 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 178.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.2 m -48.41 -49.11 36.32 Favored 'General case' 0 C--N 1.341 0.228 0 C-N-CA 124.797 1.239 . . . . 0.0 110.509 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.8 m -56.28 -37.48 69.9 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.605 1.162 . . . . 0.0 112.528 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -77.23 -28.99 53.9 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 118.966 0.803 . . . . 0.0 110.056 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 98.7 mt -64.2 -45.77 95.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 N-CA-C 104.467 -2.42 . . . . 0.0 104.467 177.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -58.6 -36.56 74.2 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.173 0.989 . . . . 0.0 109.58 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.9 mmt-85 -69.92 -38.18 76.16 Favored 'General case' 0 CA--C 1.518 -0.271 0 O-C-N 121.545 -0.722 . . . . 0.0 110.217 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.1 mt -67.34 -28.75 68.24 Favored 'General case' 0 N--CA 1.454 -0.255 0 O-C-N 121.672 -0.643 . . . . 0.0 109.584 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 17.0 mtt -61.52 -45.37 94.5 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 178.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.3 m -62.02 -29.29 70.17 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.929 0.892 . . . . 0.0 112.221 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -72.79 -14.9 61.63 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.615 1.098 . . . . 0.0 112.23 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.91 25.93 5.99 Favored Glycine 0 CA--C 1.527 0.788 0 CA-C-O 118.635 -1.092 . . . . 0.0 114.523 179.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -110.47 154.93 22.94 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 118.464 1.132 . . . . 0.0 111.463 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.7 m -82.62 158.63 22.95 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.895 1.278 . . . . 0.0 109.046 178.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -67.11 -36.66 82.42 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.826 0.85 . . . . 0.0 109.722 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -57.77 -55.51 34.0 Favored 'General case' 0 C--O 1.224 -0.238 0 C-N-CA 124.177 0.991 . . . . 0.0 108.884 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -53.53 -49.06 68.4 Favored 'General case' 0 N--CA 1.461 0.101 0 C-N-CA 124.53 1.132 . . . . 0.0 109.608 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.9 mt -56.24 -49.17 77.78 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 O-C-N 121.779 -0.575 . . . . 0.0 110.005 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 71.2 mm-40 -63.35 -42.8 98.94 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.892 0.877 . . . . 0.0 111.823 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -63.8 -44.33 93.62 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.966 0.803 . . . . 0.0 109.199 179.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.73 -39.13 93.54 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.2 mt -64.22 -50.63 67.26 Favored 'General case' 0 C--N 1.34 0.182 0 CA-C-O 118.473 -0.775 . . . . 0.0 112.075 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.9 p -61.33 -45.81 97.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 119.034 0.833 . . . . 0.0 110.924 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 72.0 mt -67.43 -31.82 54.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.71 10.19 4.31 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 120.93 -1.106 . . . . 0.0 110.288 178.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 34.4 m170 53.66 46.35 26.14 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.202 1.801 . . . . 0.0 109.178 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 72.33 6.43 5.5 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 128.726 2.81 . . . . 0.0 113.968 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -80.14 106.33 12.08 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 120.243 1.383 . . . . 0.0 109.858 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.5 tp -63.21 -41.34 92.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 123.803 0.841 . . . . 0.0 112.362 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -64.22 -46.58 83.25 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 119.637 1.108 . . . . 0.0 110.224 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 14.8 ttt -61.64 -46.86 87.99 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 178.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.59 -39.21 87.25 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 123.304 0.642 . . . . 0.0 111.099 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -58.63 -36.89 74.8 Favored 'General case' 0 C--O 1.234 0.289 0 O-C-N 121.341 -0.85 . . . . 0.0 109.855 178.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -67.76 -41.89 82.61 Favored 'General case' 0 C--N 1.341 0.222 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 64.7 mt -55.15 -54.71 21.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.3 mt -56.12 -44.74 79.43 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.443 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 -61.11 -35.2 76.37 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -103.9 -7.06 20.73 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 114.954 1.465 . . . . 0.0 114.954 -177.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -119.07 -36.64 3.36 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 119.175 0.898 . . . . 0.0 111.686 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.29 -8.58 21.98 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.21 1.404 . . . . 0.0 110.417 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -118.01 -169.1 14.62 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 127.459 2.457 . . . . 0.0 109.172 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -71.02 152.86 63.15 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.941 1.761 . . . . 0.0 111.001 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.2 m -116.37 153.93 31.15 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 178.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.2 t -115.88 118.53 33.24 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 118.855 0.752 . . . . 0.0 110.786 -178.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.207 0 CA-C-O 116.388 -2.34 . . . . 0.0 109.975 179.808 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.741 0 CA-C-O 119.014 -0.881 . . . . 0.0 111.309 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 32.3 t -72.57 89.38 1.29 Allowed 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.695 1.598 . . . . 0.0 108.423 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 78.1 p -71.25 131.14 43.05 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.76 -169.4 41.82 Favored Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 109.65 -1.38 . . . . 0.0 109.65 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 20.6 p -128.74 167.42 17.29 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 125.439 1.496 . . . . 0.0 108.325 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 24.5 p -146.22 176.4 9.78 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 123.869 0.867 . . . . 0.0 108.946 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.89 -36.22 4.42 Favored Glycine 0 C--N 1.334 0.437 0 CA-C-O 118.535 -1.147 . . . . 0.0 112.837 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -136.87 95.36 3.11 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 119.639 1.72 . . . . 0.0 108.365 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 11.2 mp -51.91 -26.13 9.6 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 126.332 1.853 . . . . 0.0 112.574 -179.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 7.2 p -52.2 -42.97 63.96 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.708 1.603 . . . . 0.0 109.284 177.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 8.9 m -59.63 -34.79 73.24 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 125.378 1.471 . . . . 0.0 110.714 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -78.33 -16.24 57.91 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 121.21 -0.931 . . . . 0.0 111.257 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 76.5 mt -69.08 -42.48 81.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 N-CA-C 104.149 -2.538 . . . . 0.0 104.149 177.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -58.81 -43.9 90.69 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 125.023 1.329 . . . . 0.0 109.622 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -63.49 -15.59 58.26 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 118.847 -0.597 . . . . 0.0 112.451 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 39.8 mt -98.45 -29.85 12.88 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 119.265 0.939 . . . . 0.0 108.686 178.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 49.7 mtt -58.52 -43.01 89.03 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 118.953 0.797 . . . . 0.0 109.366 178.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.71 6.32 0.5 Allowed 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.813 1.645 . . . . 0.0 114.651 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.421 ' HB2' ' CD2' ' B' ' 21' ' ' TYR . 4.6 mm-40 -106.17 -15.3 14.9 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 120.19 -1.569 . . . . 0.0 110.557 178.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.52 3.29 53.26 Favored Glycine 0 CA--C 1.532 1.154 0 N-CA-C 110.009 -1.236 . . . . 0.0 110.009 -178.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . 0.421 ' CD2' ' HB2' ' B' ' 19' ' ' GLN . 45.1 m-85 -83.95 127.72 34.05 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 104.111 -2.551 . . . . 0.0 104.111 178.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 50.7 m -77.63 156.74 30.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 119.289 0.95 . . . . 0.0 111.567 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -51.05 -41.11 59.67 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 126.154 1.782 . . . . 0.0 111.589 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -55.86 -53.98 50.13 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 123.944 0.778 . . . . 0.0 110.187 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . 0.402 ' HA ' ' HE3' ' B' ' 28' ' ' LYS . 39.0 m-20 -58.73 -47.77 83.46 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.629 0.772 . . . . 0.0 109.532 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 40.1 mt -55.02 -48.16 76.14 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -61.88 -46.71 88.21 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.899 1.28 . . . . 0.0 109.947 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.402 ' HE3' ' HA ' ' B' ' 25' ' ' ASP . 7.7 mtmp? -56.6 -42.78 79.31 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 121.085 -1.009 . . . . 0.0 109.542 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.91 -44.38 77.07 Favored 'General case' 0 N--CA 1.452 -0.355 0 O-C-N 121.329 -0.857 . . . . 0.0 110.591 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 41.7 mt -58.19 -50.27 74.11 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 119.368 0.985 . . . . 0.0 112.004 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 9.3 p -61.18 -28.95 44.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 CA-C-N 118.403 0.547 . . . . 0.0 112.348 -179.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 86.4 mt -89.63 -23.65 6.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 O-C-N 121.264 -0.897 . . . . 0.0 110.013 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.22 10.13 28.4 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 120.514 -1.366 . . . . 0.0 111.254 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 12.6 m170 53.74 46.93 24.85 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 122.846 1.308 . . . . 0.0 108.841 -178.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 64.89 5.27 2.79 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 127.119 2.168 . . . . 0.0 112.687 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -70.94 99.88 1.86 Allowed 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 6.7 tp -58.01 -39.0 70.22 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 C-N-CA 125.169 1.388 . . . . 0.0 112.549 -179.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -69.38 -46.36 67.12 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.528 -0.732 . . . . 0.0 110.454 -179.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 16.4 ttt -61.05 -46.55 90.25 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.38 -45.68 92.68 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 123.654 0.782 . . . . 0.0 109.945 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 19.9 mttm -53.63 -39.44 64.98 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 119.207 0.912 . . . . 0.0 109.009 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -69.1 -44.1 73.17 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 118.617 -0.706 . . . . 0.0 110.418 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 71.7 mt -56.29 -51.55 62.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 CA-C-O 122.846 1.308 . . . . 0.0 107.732 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 24.3 mt -59.03 -21.93 59.87 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 125.052 1.341 . . . . 0.0 112.406 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -93.54 -12.45 29.56 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-O 117.047 -1.454 . . . . 0.0 112.915 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -119.58 -6.71 10.19 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 120.693 1.588 . . . . 0.0 113.658 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -118.41 -64.08 1.33 Allowed 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 104.716 -2.328 . . . . 0.0 104.716 178.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.32 0.72 27.79 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 123.405 0.682 . . . . 0.0 109.28 177.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -134.32 -177.84 15.22 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 127.239 2.352 . . . . 0.0 111.303 -179.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -71.1 158.45 55.03 Favored 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 124.024 3.149 . . . . 0.0 116.027 -177.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 45.8 m -141.82 -173.7 3.87 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 128.205 2.602 . . . . 0.0 108.152 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 8.1 t -121.97 165.91 15.26 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 124.159 0.984 . . . . 0.0 109.514 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 C-N-CA 126.118 1.818 . . . . 0.0 112.557 179.506 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.866 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.4 m -108.02 58.95 0.61 Allowed 'General case' 0 C--O 1.233 0.236 0 C-N-CA 124.82 1.248 . . . . 0.0 110.764 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.0 p -89.43 -176.09 4.94 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.658 1.183 . . . . 0.0 109.447 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.3 7.13 35.47 Favored Glycine 0 CA--C 1.525 0.656 0 CA-C-O 118.62 -1.1 . . . . 0.0 115.352 178.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.5 m -135.37 -178.47 5.12 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 119.212 1.506 . . . . 0.0 111.651 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 t -149.05 177.41 9.62 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 127.362 2.265 . . . . 0.0 107.344 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.06 -116.97 1.01 Allowed Glycine 0 N--CA 1.45 -0.379 0 N-CA-C 108.183 -1.967 . . . . 0.0 108.183 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -123.38 164.99 17.78 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.571 0.701 . . . . 0.0 112.048 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -121.61 15.14 11.09 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.73 2.012 . . . . 0.0 113.17 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.0 m -48.68 -56.63 7.99 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 125.024 1.33 . . . . 0.0 112.902 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -60.0 -20.95 60.48 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.653 1.181 . . . . 0.0 113.878 -179.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -86.38 -22.97 26.33 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 119.307 0.958 . . . . 0.0 109.554 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.8 mt -61.47 -47.59 92.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 N-CA-C 106.127 -1.805 . . . . 0.0 106.127 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -57.57 -37.41 73.12 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 126.514 1.925 . . . . 0.0 111.151 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -70.32 -37.6 74.77 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.2 mt -69.55 -29.37 66.93 Favored 'General case' 0 C--N 1.337 0.031 0 C-N-CA 124.401 1.081 . . . . 0.0 111.959 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 39.5 mtt -59.62 -29.71 68.2 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 120.012 1.278 . . . . 0.0 111.242 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.0 m -64.7 -23.79 67.36 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 118.517 0.599 . . . . 0.0 111.403 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -85.51 -1.37 57.01 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.382 1.073 . . . . 0.0 111.453 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.45 -15.39 60.09 Favored Glycine 0 CA--C 1.525 0.665 0 C-N-CA 125.507 1.527 . . . . 0.0 114.643 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -58.64 123.46 16.4 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 118.693 1.246 . . . . 0.0 111.226 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.8 m -64.92 143.8 57.71 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.033 0.933 . . . . 0.0 108.818 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -52.01 -45.13 64.44 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 123.634 0.774 . . . . 0.0 111.3 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -59.18 -47.01 86.88 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 117.524 0.147 . . . . 0.0 111.308 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -59.71 -42.59 93.41 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 121.154 -0.966 . . . . 0.0 109.743 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.3 mt -60.4 -41.55 87.79 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -63.05 -50.82 69.11 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.104 0.962 . . . . 0.0 110.098 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.8 mttp -57.53 -45.66 84.78 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.129 0.972 . . . . 0.0 109.753 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.17 -43.42 95.83 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 118.619 -0.705 . . . . 0.0 110.613 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 28.6 mt -62.69 -51.67 66.29 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 119.19 0.905 . . . . 0.0 112.902 -179.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.2 p -57.45 -47.58 84.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 118.121 0.419 . . . . 0.0 110.785 -178.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 72.6 mt -65.77 -38.56 82.52 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.04 7.18 3.45 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 37.0 m170 60.02 48.98 8.03 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 119.92 1.237 . . . . 0.0 108.375 -178.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 48.2 55.97 8.04 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 127.057 2.143 . . . . 0.0 109.73 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -125.07 105.3 9.07 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 123.986 0.914 . . . . 0.0 109.129 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.525 HG13 ' HE3' ' A' ' 41' ' ' LYS . 5.7 tp -61.29 -42.05 92.07 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.329 0 C-N-CA 122.84 0.456 . . . . 0.0 110.923 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -65.12 -18.76 65.57 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 125.355 1.462 . . . . 0.0 113.976 -177.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 14.9 ttt -98.53 -47.67 5.29 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 106.498 -1.667 . . . . 0.0 106.498 179.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.01 -38.77 80.01 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.68 0.792 . . . . 0.0 111.08 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.525 ' HE3' HG13 ' A' ' 37' ' ' ILE . 83.1 mttt -57.77 -41.07 81.27 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 123.99 0.916 . . . . 0.0 109.041 178.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -64.49 -45.83 85.63 Favored 'General case' 0 C--O 1.227 -0.111 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 25.9 mt -56.96 -48.55 81.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.3 mt -61.3 -30.93 70.79 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 123.021 0.528 . . . . 0.0 111.42 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -71.84 -37.18 70.32 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 123.349 0.66 . . . . 0.0 111.549 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -90.15 -55.7 3.51 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 -178.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -83.25 -10.71 58.4 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -178.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.0 m -132.36 -170.43 2.42 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 176.51 -164.13 33.68 Favored Glycine 0 CA--C 1.525 0.694 0 O-C-N 121.14 -0.975 . . . . 0.0 110.778 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -71.77 176.71 7.86 Favored 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 122.884 2.389 . . . . 0.0 111.425 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.0 166.56 14.29 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 124.352 1.061 . . . . 0.0 108.855 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.17 -26.2 0.1 Allowed 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 123.743 0.817 . . . . 0.0 111.831 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.67 0 N-CA-C 108.283 -1.927 . . . . 0.0 108.283 178.565 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.465 0 N-CA-C 108.902 -1.679 . . . . 0.0 108.902 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 58.0 m -64.68 128.13 34.45 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 50.5 p -162.8 -159.48 0.56 Allowed 'General case' 0 C--O 1.237 0.447 0 C-N-CA 126.331 1.852 . . . . 0.0 107.625 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.06 -60.26 1.98 Allowed Glycine 0 C--N 1.336 0.553 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 5.1 m -64.49 179.36 0.61 Allowed 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.737 1.215 . . . . 0.0 111.241 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 40.0 t -151.05 163.63 38.33 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 126.666 1.986 . . . . 0.0 107.208 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.01 -129.63 1.91 Allowed Glycine 0 C--N 1.335 0.485 0 O-C-N 121.583 -0.698 . . . . 0.0 111.665 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -103.18 133.43 48.29 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 125.252 1.421 . . . . 0.0 108.338 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -107.73 22.33 16.12 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.061 1.744 . . . . 0.0 110.379 -179.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 3.4 p -62.54 -45.83 91.16 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 126.827 2.051 . . . . 0.0 112.277 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 49.4 m -66.31 -24.74 66.59 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.869 0.759 . . . . 0.0 109.292 178.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -76.58 -17.04 59.42 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 118.518 -0.753 . . . . 0.0 109.582 178.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 74.4 mt -65.52 -46.57 89.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 N-CA-C 104.971 -2.233 . . . . 0.0 104.971 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -56.66 -40.01 74.75 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.155 0.582 . . . . 0.0 111.282 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -58.03 -30.52 66.19 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.796 -0.565 . . . . 0.0 110.649 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 67.5 mt -87.96 -26.54 22.62 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 124.722 1.209 . . . . 0.0 110.863 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 34.8 mtt -62.76 -31.75 72.76 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 50.2 m -64.01 -13.48 46.99 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.744 1.218 . . . . 0.0 111.308 177.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -98.05 -15.26 20.1 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.151 1.38 . . . . 0.0 109.946 178.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.29 -2.45 61.14 Favored Glycine 0 CA--C 1.532 1.129 0 C-N-CA 126.611 2.053 . . . . 0.0 114.343 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -57.49 139.13 54.14 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 120.206 2.003 . . . . 0.0 109.451 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.4 m -66.68 145.55 55.44 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 122.501 0.32 . . . . 0.0 110.773 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -55.08 -46.96 75.49 Favored 'General case' 0 C--N 1.333 -0.109 0 C-N-CA 123.901 0.88 . . . . 0.0 109.078 179.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -58.03 -45.13 87.44 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 123.613 0.765 . . . . 0.0 110.006 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -62.14 -45.43 93.47 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 123.851 0.86 . . . . 0.0 109.562 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 47.0 mt -61.44 -44.98 99.49 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -61.13 -45.3 95.24 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.815 1.246 . . . . 0.0 110.013 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 41.7 mttt -59.55 -47.35 85.9 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 120.919 -1.113 . . . . 0.0 108.27 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.76 -43.65 94.2 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 119.01 -0.519 . . . . 0.0 109.931 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 30.9 mt -62.77 -53.51 53.24 Favored 'General case' 0 C--N 1.34 0.179 0 CA-C-O 118.393 -0.813 . . . . 0.0 111.658 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 5.4 p -59.72 -42.83 89.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-N 119.418 1.008 . . . . 0.0 111.555 -178.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 63.9 mt -68.72 -32.44 54.97 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 O-C-N 121.617 -0.677 . . . . 0.0 109.633 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.6 10.39 13.38 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 123.978 0.911 . . . . 0.0 112.354 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 8.8 m170 56.07 40.54 30.24 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 124.824 1.25 . . . . 0.0 110.32 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 74.18 6.19 4.7 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 128.043 2.537 . . . . 0.0 112.913 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -75.2 99.32 3.97 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 119.696 1.135 . . . . 0.0 108.809 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 6.1 tp -55.71 -40.21 59.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 124.881 1.272 . . . . 0.0 112.399 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -64.46 -48.61 74.6 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 125.159 1.383 . . . . 0.0 110.129 -177.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 6.7 ttt -65.46 -46.21 80.7 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 178.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.97 -42.91 86.04 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.36 1.064 . . . . 0.0 110.771 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -59.05 -43.77 91.72 Favored 'General case' 0 CA--C 1.517 -0.316 0 O-C-N 121.642 -0.662 . . . . 0.0 109.231 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -60.65 -37.65 82.25 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 118.59 -0.719 . . . . 0.0 109.559 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 67.3 mt -60.58 -54.87 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 178.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 68.6 mt -62.38 -6.27 3.14 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.993 1.317 . . . . 0.0 112.521 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -96.66 -21.11 17.81 Favored 'General case' 0 C--N 1.338 0.072 0 O-C-N 120.703 -1.248 . . . . 0.0 112.181 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -124.43 -6.98 7.54 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -178.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -115.1 -74.39 0.61 Allowed 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 178.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 18.8 m -66.42 170.37 6.17 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -156.66 -178.16 30.5 Favored Glycine 0 CA--C 1.524 0.596 0 O-C-N 120.494 -1.379 . . . . 0.0 112.82 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -74.3 149.76 40.75 Favored 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 122.866 2.377 . . . . 0.0 110.19 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 26.2 p -82.44 178.14 8.38 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 178.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 88.7 p -142.2 -68.89 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 105.175 -2.157 . . . . 0.0 105.175 178.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.668 0 N-CA-C 106.569 -2.612 . . . . 0.0 106.569 177.514 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.649 0 N-CA-C 111.5 -0.64 . . . . 0.0 111.5 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 m -79.37 -175.57 4.77 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 123.419 0.687 . . . . 0.0 111.029 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 t -122.77 157.6 32.02 Favored 'General case' 0 C--O 1.24 0.6 0 N-CA-C 106.661 -1.607 . . . . 0.0 106.661 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.12 175.67 42.75 Favored Glycine 0 CA--C 1.532 1.106 0 N-CA-C 107.607 -2.197 . . . . 0.0 107.607 -177.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m 61.71 20.03 11.02 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.546 -0.973 . . . . 0.0 112.232 -179.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.3 m -80.28 154.32 27.92 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.07 -166.34 25.99 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 106.755 -2.538 . . . . 0.0 106.755 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -64.44 159.94 20.29 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 177.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.0 tt -55.18 -29.83 58.64 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.56 1.144 . . . . 0.0 110.675 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.9 p -54.69 -40.43 69.15 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.811 0.844 . . . . 0.0 110.822 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.8 m -74.78 -5.98 46.41 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.542 1.537 . . . . 0.0 112.671 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -98.1 -31.78 11.95 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 178.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.4 mt -61.63 -48.1 90.3 Favored 'Isoleucine or valine' 0 C--N 1.342 0.276 0 N-CA-C 105.589 -2.004 . . . . 0.0 105.589 177.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -60.18 -30.95 69.68 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.339 0.656 . . . . 0.0 110.893 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -77.12 -33.36 56.83 Favored 'General case' 0 CA--C 1.52 -0.203 0 O-C-N 121.26 -0.9 . . . . 0.0 109.717 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.7 mt -69.62 -31.92 70.33 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 178.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 48.1 mtt -60.56 -32.95 72.0 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 119.145 0.884 . . . . 0.0 110.052 178.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.1 m -59.35 -26.52 65.13 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.925 1.29 . . . . 0.0 111.659 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -78.26 -9.54 59.27 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.254 0.621 . . . . 0.0 111.238 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.09 2.61 48.53 Favored Glycine 0 C--N 1.335 0.512 0 C-N-CA 125.278 1.418 . . . . 0.0 113.517 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -76.55 132.14 39.35 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 118.506 1.153 . . . . 0.0 109.26 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.8 m -75.96 158.17 32.27 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -51.31 -39.7 57.46 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 118.835 -0.603 . . . . 0.0 111.644 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -57.92 -48.3 80.3 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.409 0.684 . . . . 0.0 111.108 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -61.42 -48.42 81.26 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 125.46 1.504 . . . . 0.0 110.045 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.4 mt -61.26 -47.13 94.92 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 O-C-N 121.407 -0.808 . . . . 0.0 109.275 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -58.52 -49.93 75.6 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.564 1.546 . . . . 0.0 109.656 178.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -52.64 -47.51 67.03 Favored 'General case' 0 C--N 1.344 0.359 0 CA-C-N 120.018 1.281 . . . . 0.0 110.628 178.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.42 -38.65 81.17 Favored 'General case' 0 C--O 1.226 -0.142 0 CA-C-O 118.716 -0.659 . . . . 0.0 110.802 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 62.2 mt -66.75 -57.14 7.69 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 118.92 0.782 . . . . 0.0 110.15 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.1 p -57.63 -41.5 79.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 118.877 0.762 . . . . 0.0 111.299 -178.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 95.2 mt -68.23 -25.58 31.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 O-C-N 121.618 -0.677 . . . . 0.0 110.188 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.44 12.97 20.99 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.065 1.346 . . . . 0.0 110.611 178.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 15.0 m170 59.62 27.49 16.72 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.081 1.753 . . . . 0.0 111.024 -178.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 88.32 0.58 0.39 Allowed 'General case' 0 N--CA 1.464 0.255 1 C-N-CA 132.24 4.216 . . . . 0.0 113.202 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -65.32 110.32 2.58 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.76 1.164 . . . . 0.0 110.663 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.1 tp -65.88 -38.47 82.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -68.15 -38.85 82.58 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.331 -0.856 . . . . 0.0 110.813 -178.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 22.1 ttt -69.99 -49.82 47.75 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.34 -39.02 75.04 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.12 0.968 . . . . 0.0 111.207 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -58.17 -45.53 87.34 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 178.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -62.75 -34.54 77.42 Favored 'General case' 0 CA--C 1.527 0.06 0 CA-C-O 118.523 -0.751 . . . . 0.0 111.155 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 57.0 mt -58.54 -53.37 47.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 105.499 -2.037 . . . . 0.0 105.499 178.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 64.7 mt -73.53 27.88 0.07 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 127.05 2.14 . . . . 0.0 111.296 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -135.03 -20.49 1.69 Allowed 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 125.292 1.437 . . . . 0.0 112.575 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -122.43 -6.24 8.74 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.08 0.952 . . . . 0.0 111.373 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -119.88 -90.89 0.57 Allowed 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.19 120.67 13.64 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 143.04 -176.5 22.54 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -77.88 45.42 1.78 Allowed 'Trans proline' 0 CA--C 1.545 1.04 0 C-N-CA 124.028 3.152 . . . . 0.0 110.514 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.4 m -63.01 170.39 2.78 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.989 2.116 . . . . 0.0 112.032 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 89.9 p -157.97 174.41 15.29 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 124.131 0.973 . . . . 0.0 110.185 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.634 0 CA-C-O 118.72 -1.045 . . . . 0.0 110.822 178.981 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.755 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.4 m -72.69 -171.63 0.86 Allowed 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 118.25 1.025 . . . . 0.0 108.842 178.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 7.4 t -130.84 126.7 36.94 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.27 -178.88 23.65 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 125.565 1.555 . . . . 0.0 110.024 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 9.4 m 57.04 9.19 0.6 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.304 1.442 . . . . 0.0 114.043 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 20.4 m -66.14 150.25 49.03 Favored 'General case' 0 C--O 1.241 0.623 0 O-C-N 121.091 -1.005 . . . . 0.0 109.034 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.37 -165.29 10.48 Favored Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 109.89 -1.284 . . . . 0.0 109.89 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -71.2 157.92 37.31 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 104.515 -2.402 . . . . 0.0 104.515 177.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 7.9 tt -50.99 -32.14 20.2 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 119.48 1.036 . . . . 0.0 111.767 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.42 -43.27 93.08 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 125.642 1.577 . . . . 0.0 110.733 178.287 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 75.0 m -70.18 -40.85 74.43 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.173 0.989 . . . . 0.0 109.336 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -59.19 -38.13 79.1 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.368 1.067 . . . . 0.0 110.503 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 54.8 mt -59.25 -40.42 81.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 178.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -72.53 -32.25 65.95 Favored 'General case' 0 N--CA 1.457 -0.106 0 O-C-N 121.485 -0.76 . . . . 0.0 110.581 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 37.8 mtp85 -63.82 -24.02 67.59 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 119.03 0.832 . . . . 0.0 109.552 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 16.5 mt -82.93 -33.09 26.87 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 124.772 1.229 . . . . 0.0 110.3 178.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 52.8 mtt -51.41 -42.43 61.45 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.938 1.245 . . . . 0.0 110.844 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 24.4 m -56.49 -12.54 1.78 Allowed 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 -86.34 1.07 52.44 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 120.24 1.382 . . . . 0.0 110.403 178.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.82 3.91 58.04 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 126.387 1.946 . . . . 0.0 110.85 -178.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 17.5 m-30 -72.87 147.74 45.09 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 126.766 2.026 . . . . 0.0 112.331 -179.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 16.5 m -99.06 152.79 19.45 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -53.58 -38.97 64.43 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 114.441 1.274 . . . . 0.0 114.441 -178.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -65.1 -41.83 94.57 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 119.288 0.949 . . . . 0.0 111.272 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -55.96 -48.3 76.03 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 48.2 mt -62.39 -47.69 91.86 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -58.79 -43.76 90.54 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 118.405 -0.807 . . . . 0.0 111.586 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -58.99 -49.2 78.78 Favored 'General case' 0 CA--C 1.526 0.054 0 CA-C-N 119.395 0.998 . . . . 0.0 108.876 178.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.83 -41.08 90.56 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 118.791 0.723 . . . . 0.0 110.041 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 20.4 mt -63.22 -55.09 27.87 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 118.401 -0.809 . . . . 0.0 111.164 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 10.0 p -59.93 -43.69 92.83 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-N 119.15 0.886 . . . . 0.0 111.337 -179.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 77.7 mt -65.36 -31.0 51.95 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.47 11.41 7.02 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.347 1.059 . . . . 0.0 111.323 178.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 19.3 m170 63.9 26.57 14.27 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.485 1.514 . . . . 0.0 110.72 -178.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 83.15 5.62 0.84 Allowed 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 131.435 3.894 . . . . 0.0 112.465 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -72.73 107.71 5.33 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.558 -0.714 . . . . 0.0 109.461 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 8.0 tp -61.05 -38.89 80.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 123.987 0.915 . . . . 0.0 113.069 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -68.03 -45.58 73.58 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 119.849 1.204 . . . . 0.0 109.956 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 17.7 ttt -62.84 -44.83 95.1 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.88 -45.81 92.16 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.533 0.733 . . . . 0.0 109.138 178.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -53.96 -38.21 64.75 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 118.082 -0.961 . . . . 0.0 109.731 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 -63.74 -44.66 92.84 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 119.091 0.86 . . . . 0.0 109.415 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 46.0 mt -57.09 -49.71 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 179.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 64.2 mt -73.7 27.32 0.07 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.697 1.999 . . . . 0.0 112.735 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -141.12 -36.61 0.45 Allowed 'General case' 0 C--O 1.235 0.309 0 C-N-CA 126.294 1.837 . . . . 0.0 110.282 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -100.47 -15.26 17.96 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 118.82 0.736 . . . . 0.0 111.978 -179.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -116.83 -75.22 0.58 Allowed 'General case' 0 C--N 1.341 0.22 0 C-N-CA 125.531 1.532 . . . . 0.0 109.629 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 3.5 t -64.15 146.29 54.49 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.76 -174.5 21.75 Favored Glycine 0 CA--C 1.53 1.02 0 C-N-CA 124.883 1.23 . . . . 0.0 111.058 -179.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -74.61 50.54 2.41 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 125.15 3.9 . . . . 0.0 112.634 -179.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 16.5 m -61.13 153.53 25.55 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 126.06 1.744 . . . . 0.0 108.783 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 1.7 p -137.57 158.58 44.08 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.652 -0.869 . . . . 0.0 108.652 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.254 0 N-CA-C 109.243 -1.543 . . . . 0.0 109.243 -179.467 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.488 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 p -161.86 -77.32 0.05 OUTLIER 'General case' 0 C--O 1.234 0.237 0 C-N-CA 124.699 1.199 . . . . 0.0 107.957 178.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.0 t -92.67 83.85 4.93 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 125.067 1.347 . . . . 0.0 108.983 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.9 56.77 0.25 Allowed Glycine 0 C--N 1.339 0.748 0 CA-C-N 119.122 0.873 . . . . 0.0 113.254 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.5 t -68.13 178.86 1.71 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 127.455 2.302 . . . . 0.0 111.712 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.6 p -153.18 -178.26 6.84 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 122.149 0.976 . . . . 0.0 111.914 178.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.69 -29.76 2.02 Favored Glycine 0 CA--C 1.522 0.49 0 C-N-CA 126.016 1.77 . . . . 0.0 114.612 178.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -85.53 62.73 7.66 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 119.211 1.506 . . . . 0.0 107.749 179.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.3 mp -73.41 -32.6 64.52 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 117.882 -1.056 . . . . 0.0 109.533 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.5 m -57.35 -41.34 79.91 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 120.008 1.276 . . . . 0.0 111.005 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.8 m -67.5 -26.18 66.22 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 117.995 0.361 . . . . 0.0 110.48 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -78.94 -30.74 44.82 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 121.221 -0.925 . . . . 0.0 108.97 178.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.15 -42.48 95.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 104.845 -2.28 . . . . 0.0 104.845 177.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -63.32 -37.47 87.4 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.399 0.679 . . . . 0.0 110.036 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -68.17 -35.17 77.63 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.5 mt -69.98 -44.57 69.15 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 123.86 0.864 . . . . 0.0 108.781 178.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.8 mtt -55.1 -33.65 63.0 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.055 0.843 . . . . 0.0 110.273 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.98 -36.57 68.02 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.927 1.291 . . . . 0.0 111.627 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -76.0 -10.8 59.71 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.725 0.81 . . . . 0.0 112.584 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.78 -11.12 38.3 Favored Glycine 0 CA--C 1.526 0.724 0 C-N-CA 125.355 1.455 . . . . 0.0 111.334 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -51.33 127.08 18.72 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 117.893 0.847 . . . . 0.0 109.521 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.5 m -72.17 145.26 48.19 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 121.245 0.545 . . . . 0.0 110.319 -179.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -56.17 -44.88 79.78 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 125.067 1.347 . . . . 0.0 111.229 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -53.94 -45.76 71.36 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 118.149 0.431 . . . . 0.0 109.888 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -65.62 -47.85 74.26 Favored 'General case' 0 CA--C 1.519 -0.231 0 C-N-CA 123.84 0.856 . . . . 0.0 110.551 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.0 mt -56.19 -46.58 81.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-N 118.58 0.627 . . . . 0.0 109.808 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -63.62 -46.07 87.39 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.705 0.802 . . . . 0.0 111.016 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -60.43 -46.79 88.75 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.67 0.668 . . . . 0.0 109.36 179.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.79 -43.53 85.67 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 118.597 -0.716 . . . . 0.0 109.938 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.1 mt -63.1 -51.24 67.35 Favored 'General case' 0 CA--C 1.521 -0.161 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.6 p -61.38 -43.44 96.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-N 118.262 0.483 . . . . 0.0 111.159 -178.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 62.3 mt -71.13 -33.6 51.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 O-C-N 121.767 -0.583 . . . . 0.0 110.175 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.09 9.5 1.95 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.756 0.707 . . . . 0.0 110.892 178.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.1 m170 57.54 50.92 10.32 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.834 1.654 . . . . 0.0 108.454 -178.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.6 m120 53.09 46.4 26.75 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 126.843 2.057 . . . . 0.0 113.027 179.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -121.48 114.6 21.48 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 124.776 1.23 . . . . 0.0 107.94 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.2 tp -65.18 -40.94 90.39 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 124.172 0.989 . . . . 0.0 112.937 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -67.6 -43.21 81.05 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.864 1.211 . . . . 0.0 110.779 -179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 8.2 ttt -65.71 -42.8 90.71 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.96 -39.5 90.46 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.2 0.6 . . . . 0.0 111.258 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -55.42 -44.27 76.08 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -60.85 -41.62 96.21 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-O 118.671 -0.68 . . . . 0.0 110.737 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 69.2 mt -58.36 -51.58 69.6 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.7 mt -64.17 -22.9 67.12 Favored 'General case' 0 C--O 1.224 -0.276 0 C-N-CA 123.053 0.541 . . . . 0.0 111.97 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -78.6 -19.69 52.15 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 119.472 1.033 . . . . 0.0 111.841 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -114.52 -49.2 2.83 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -178.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -83.76 -13.2 54.49 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 119.211 0.914 . . . . 0.0 113.084 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.9 t -131.59 178.67 6.56 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -175.82 -169.25 37.21 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 108.901 -1.679 . . . . 0.0 108.901 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -66.65 155.45 70.33 Favored 'Trans proline' 0 N--CA 1.449 -1.146 0 C-N-CA 122.588 2.192 . . . . 0.0 109.998 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.9 m -134.66 99.41 4.32 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 -179.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.2 m -59.66 -16.84 29.3 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 115.192 1.553 . . . . 0.0 115.192 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 117.83 -1.539 . . . . 0.0 110.687 -179.728 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.588 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 88.5 p -167.34 -6.74 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 9.2 t -147.99 127.04 12.83 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 105.775 -1.935 . . . . 0.0 105.775 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.02 141.27 4.02 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 125.336 1.446 . . . . 0.0 110.56 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 40.6 t -138.82 153.38 48.36 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 124.727 1.211 . . . . 0.0 108.892 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 12.0 p -137.23 101.27 4.49 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.35 -61.85 0.13 Allowed Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.221 -1.152 . . . . 0.0 110.221 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -75.71 51.34 0.61 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.585 1.154 . . . . 0.0 112.074 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 9.8 mp -63.51 -17.48 62.82 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 120.707 -1.245 . . . . 0.0 112.512 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 16.4 m -62.09 -37.29 84.52 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 119.655 1.116 . . . . 0.0 108.499 178.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 22.2 m -66.49 -35.65 80.8 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.245 1.018 . . . . 0.0 109.522 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -67.46 -29.9 69.47 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 120.884 -1.135 . . . . 0.0 111.453 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.9 mt -62.8 -41.43 92.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 107.054 -1.462 . . . . 0.0 107.054 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -65.08 -41.4 95.06 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 124.099 0.96 . . . . 0.0 110.203 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 24.8 mtm180 -63.68 -30.36 71.47 Favored 'General case' 0 C--N 1.342 0.269 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 13.5 mt -77.11 -39.85 47.99 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-O 118.144 -0.932 . . . . 0.0 109.13 178.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 38.5 mtt -54.94 -42.15 71.93 Favored 'General case' 0 C--N 1.339 0.142 0 CA-C-N 119.537 1.062 . . . . 0.0 109.352 178.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 32.4 t -56.9 -16.34 6.61 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.661 1.184 . . . . 0.0 112.497 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -95.31 1.89 54.56 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 120.29 1.405 . . . . 0.0 112.876 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.93 -11.69 64.18 Favored Glycine 0 CA--C 1.522 0.513 0 C-N-CA 125.27 1.414 . . . . 0.0 113.102 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -61.06 125.08 22.41 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.64 152.33 42.53 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 123.759 0.823 . . . . 0.0 109.854 -179.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -53.76 -42.35 68.12 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 178.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -62.06 -44.64 96.24 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 118.986 -0.53 . . . . 0.0 111.02 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -56.49 -48.93 76.12 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 124.292 1.037 . . . . 0.0 108.551 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 54.9 mt -60.28 -51.68 70.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 C-N-CA 124.239 1.016 . . . . 0.0 110.48 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -63.99 -40.76 97.1 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.226 0.61 . . . . 0.0 111.644 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -63.62 -41.41 98.28 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 121.345 -0.847 . . . . 0.0 108.932 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.27 -40.37 90.08 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 121.444 -0.785 . . . . 0.0 110.083 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 18.8 mt -62.69 -50.19 72.15 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 118.925 0.784 . . . . 0.0 112.835 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 7.9 p -59.26 -35.66 59.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 118.477 0.58 . . . . 0.0 111.313 -178.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 64.2 mt -79.76 -22.4 12.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 O-C-N 121.648 -0.658 . . . . 0.0 110.762 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.45 16.16 14.17 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 120.685 -1.26 . . . . 0.0 111.523 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 53.5 m170 52.97 44.39 30.49 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 122.334 1.064 . . . . 0.0 109.524 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 4.3 m120 66.67 2.87 2.72 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 127.17 2.188 . . . . 0.0 113.346 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -73.57 110.08 7.58 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 119.967 1.258 . . . . 0.0 109.587 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 5.2 tp -59.18 -47.42 90.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 124.291 1.036 . . . . 0.0 112.524 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -60.34 -48.57 81.19 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 118.913 0.779 . . . . 0.0 110.755 -178.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 18.7 ttt -60.69 -46.7 89.38 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.82 94.49 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.305 0.642 . . . . 0.0 111.605 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -57.36 -40.28 77.75 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.543 0.737 . . . . 0.0 109.971 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -62.47 -40.01 95.26 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 118.766 -0.635 . . . . 0.0 109.818 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 35.5 mt -60.29 -50.88 78.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 179.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 70.4 mt -60.82 -20.18 61.16 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.012 0.925 . . . . 0.0 112.545 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -87.25 -17.3 32.87 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.487 1.04 . . . . 0.0 113.099 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -120.26 -17.83 8.16 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -110.2 -57.22 2.23 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 7.1 t -79.34 -176.62 5.31 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -163.06 -179.96 37.92 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 120.783 -1.198 . . . . 0.0 112.348 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -79.11 83.03 2.35 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 124.001 3.134 . . . . 0.0 110.17 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 40.3 m -60.5 116.86 4.64 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.525 1.13 . . . . 0.0 108.524 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 14.9 m -105.71 -3.82 21.68 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 114.803 1.408 . . . . 0.0 114.803 -178.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.874 0 N-CA-C 106.261 -2.735 . . . . 0.0 106.261 179.661 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.968 0 N-CA-C 110.01 -1.236 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 76.99 117.86 0.06 Allowed 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 126.376 1.87 . . . . 0.0 109.497 -179.064 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.9 151.85 29.93 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 124.044 0.938 . . . . 0.0 109.413 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.14 -53.76 3.21 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 107.47 -2.252 . . . . 0.0 107.47 178.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 m -108.55 175.22 5.54 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.945 1.298 . . . . 0.0 109.786 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.2 m -126.0 178.21 5.89 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 125.833 1.653 . . . . 0.0 109.556 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.59 -174.35 39.79 Favored Glycine 0 C--O 1.239 0.456 0 O-C-N 121.767 -0.583 . . . . 0.0 112.177 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -69.69 169.53 12.66 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 125.102 1.361 . . . . 0.0 109.587 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.1 mp -62.04 -22.86 66.08 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 121.707 -0.621 . . . . 0.0 109.511 178.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.5 m -56.77 -36.72 70.16 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 125.52 1.528 . . . . 0.0 110.168 178.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.9 m -73.41 -22.45 60.23 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 125.681 1.592 . . . . 0.0 111.779 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -81.63 -33.18 31.58 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.106 0.962 . . . . 0.0 108.773 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.543 HD12 HE22 ' A' ' 27' ' ' GLN . 80.9 mt -57.87 -42.09 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 178.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -60.66 -41.35 94.84 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.426 1.09 . . . . 0.0 110.231 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.8 mtm180 -71.72 -29.65 64.78 Favored 'General case' 0 C--N 1.341 0.228 0 O-C-N 121.742 -0.599 . . . . 0.0 110.464 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 26.2 mt -68.05 -34.03 75.68 Favored 'General case' 0 C--N 1.333 -0.142 0 O-C-N 121.407 -0.808 . . . . 0.0 110.255 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 50.8 mtt -60.78 -31.41 70.77 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.733 0.697 . . . . 0.0 109.972 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -67.87 -17.47 64.5 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.99 1.316 . . . . 0.0 111.51 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -93.89 -0.51 55.65 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.64 1.176 . . . . 0.0 110.964 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.8 -5.89 73.24 Favored Glycine 0 CA--C 1.527 0.787 0 CA-C-O 117.26 -1.855 . . . . 0.0 116.257 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -71.51 150.01 45.24 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 120.457 2.128 . . . . 0.0 110.326 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 63.2 m -78.83 160.91 27.13 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 178.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -60.69 -39.67 89.34 Favored 'General case' 0 N--CA 1.456 -0.161 0 O-C-N 121.411 -0.805 . . . . 0.0 109.614 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -60.04 -45.47 92.72 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 118.313 -0.851 . . . . 0.0 110.717 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -58.13 -47.31 83.71 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 60.7 mt -57.26 -53.45 43.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 C-N-CA 122.994 0.518 . . . . 0.0 109.998 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.543 HE22 HD12 ' A' ' 13' ' ' ILE . 82.3 mm-40 -61.07 -55.44 32.55 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 118.75 -0.643 . . . . 0.0 110.992 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -49.33 -42.82 42.81 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 124.092 0.957 . . . . 0.0 111.651 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.16 -41.3 77.42 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-O 119.086 -0.483 . . . . 0.0 110.363 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.4 mt -61.01 -45.93 92.82 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 118.706 -0.664 . . . . 0.0 110.9 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.7 t -59.44 -54.08 39.38 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 118.497 0.59 . . . . 0.0 109.656 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 38.3 mt -62.98 -25.39 38.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-O 119.351 -0.357 . . . . 0.0 110.969 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.22 10.27 15.14 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.734 1.152 . . . . 0.0 111.624 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 14.9 m170 58.71 37.97 25.04 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.523 1.529 . . . . 0.0 110.291 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.1 m120 85.09 -3.32 0.9 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 129.528 3.131 . . . . 0.0 113.362 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 57.2 t-20 -73.79 108.69 6.77 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 120.113 1.324 . . . . 0.0 113.348 -178.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.0 tp -64.8 -39.79 86.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.735 1.214 . . . . 0.0 113.225 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.4 -41.57 89.13 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 125.077 1.351 . . . . 0.0 111.084 -177.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 15.1 ttt -68.29 -48.45 64.95 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 178.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.68 -38.21 74.75 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 123.213 0.605 . . . . 0.0 110.013 178.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.2 mttt -59.58 -47.32 86.01 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 178.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -57.52 -41.13 80.27 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 59.2 mt -58.96 -55.1 25.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 179.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 90.3 mt -60.58 -17.39 46.13 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.66 0.784 . . . . 0.0 112.631 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -87.12 -39.36 15.61 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-O 118.195 -0.907 . . . . 0.0 112.865 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -96.18 -13.24 23.66 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -110.65 -75.83 0.61 Allowed 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.8 m -71.47 -173.28 0.89 Allowed 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.791 1.636 . . . . 0.0 110.074 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -172.74 -177.96 42.47 Favored Glycine 0 CA--C 1.526 0.749 0 O-C-N 121.044 -1.035 . . . . 0.0 111.056 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -73.46 169.53 22.1 Favored 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 123.405 2.736 . . . . 0.0 110.142 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 39.9 m -144.03 -176.2 4.91 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.229 1.812 . . . . 0.0 108.184 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.5 p -146.96 100.28 3.29 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 120.911 1.687 . . . . 0.0 113.504 -178.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.187 0 C-N-CA 125.925 1.726 . . . . 0.0 109.018 179.215 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.86 0 N-CA-C 109.804 -1.318 . . . . 0.0 109.804 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -47.94 130.31 15.09 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 124.437 1.095 . . . . 0.0 110.698 -178.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 17.6 p -151.66 162.53 40.84 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 124.384 1.074 . . . . 0.0 110.767 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.5 -14.02 15.42 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 127.283 2.373 . . . . 0.0 109.385 178.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 6.1 m -138.13 135.53 35.82 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 125.445 1.498 . . . . 0.0 109.232 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 49.4 m -102.8 177.06 4.96 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.501 1.92 . . . . 0.0 107.186 178.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.38 -158.37 26.71 Favored Glycine 0 CA--C 1.524 0.646 0 CA-C-N 119.906 1.23 . . . . 0.0 113.32 -178.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -70.45 174.54 5.62 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 124.844 1.258 . . . . 0.0 110.459 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 8.7 mp -72.46 -15.46 61.81 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.427 0.691 . . . . 0.0 110.898 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 1.4 p -56.13 -49.3 74.31 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.932 0.893 . . . . 0.0 110.665 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 12.0 m -60.35 -32.73 71.54 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.99 0.916 . . . . 0.0 111.112 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -71.25 -36.74 71.89 Favored 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 120.766 -1.209 . . . . 0.0 110.225 -179.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 80.3 mt -64.25 -47.82 88.19 Favored 'Isoleucine or valine' 0 C--N 1.34 0.161 0 N-CA-C 106.395 -1.706 . . . . 0.0 106.395 178.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -60.14 -36.36 77.36 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 48.2 mtm180 -72.68 -31.87 65.38 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.882 0.765 . . . . 0.0 110.411 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 31.6 mt -71.13 -27.84 63.86 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 118.302 -0.856 . . . . 0.0 111.978 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 62.3 mtt -58.58 -37.01 74.89 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.776 1.171 . . . . 0.0 109.72 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 38.7 t -61.59 -30.73 70.87 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.611 1.165 . . . . 0.0 111.128 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -74.14 -7.98 54.53 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 118.185 -0.912 . . . . 0.0 112.942 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.84 -1.03 55.24 Favored Glycine 0 C--N 1.339 0.702 0 C-N-CA 125.357 1.456 . . . . 0.0 113.498 178.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -78.78 121.91 25.36 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 6.6 m -64.96 153.82 39.41 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -54.69 -38.7 67.33 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 121.703 -0.623 . . . . 0.0 112.188 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -57.87 -50.9 71.75 Favored 'General case' 0 C--O 1.223 -0.292 0 C-N-CA 123.304 0.641 . . . . 0.0 110.719 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.38 -46.96 87.23 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 124.608 1.163 . . . . 0.0 110.578 -179.319 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 44.5 mt -58.96 -48.53 86.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -60.9 -55.86 28.01 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.978 0.911 . . . . 0.0 110.595 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -52.62 -40.7 63.0 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 124.601 1.16 . . . . 0.0 110.724 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.84 -34.42 77.9 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 118.572 -0.728 . . . . 0.0 110.586 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 71.1 mt -67.98 -45.28 74.61 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 119.995 1.27 . . . . 0.0 111.112 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 22.4 t -53.54 -41.02 44.16 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-O 121.521 0.677 . . . . 0.0 110.088 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 27.4 mt -84.45 -37.01 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 C-N-CA 124.6 1.16 . . . . 0.0 112.527 -178.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.43 0.45 25.73 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.813 1.188 . . . . 0.0 112.227 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 26.6 m170 61.02 53.68 3.61 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 125.806 1.642 . . . . 0.0 107.52 -178.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 57.51 14.25 2.21 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 129.109 2.964 . . . . 0.0 113.624 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -77.72 105.86 9.16 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 5.8 tp -58.66 -45.1 90.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 C-N-CA 123.584 0.754 . . . . 0.0 111.147 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -62.33 -50.85 69.98 Favored 'General case' 0 C--N 1.335 -0.045 0 CA-C-N 119.497 1.044 . . . . 0.0 111.79 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 17.4 ttt -58.35 -45.45 88.15 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 124.18 0.992 . . . . 0.0 108.388 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.99 97.8 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 123.12 0.568 . . . . 0.0 110.096 179.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 56.4 mttt -61.61 -38.2 86.74 Favored 'General case' 0 CA--C 1.517 -0.325 0 O-C-N 121.597 -0.689 . . . . 0.0 110.626 179.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -62.55 -38.7 91.06 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.705 0.802 . . . . 0.0 109.094 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 86.9 mt -60.28 -48.54 87.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 47.8 mt -71.98 14.58 0.2 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.957 1.303 . . . . 0.0 111.76 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -131.5 10.33 4.78 Favored 'General case' 0 N--CA 1.462 0.157 0 O-C-N 120.435 -1.416 . . . . 0.0 112.028 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -137.46 -47.34 0.56 Allowed 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 126.475 1.91 . . . . 0.0 108.721 179.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -87.87 -80.05 0.28 Allowed 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 107.713 -1.218 . . . . 0.0 107.713 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 58.1 m -69.64 156.35 39.08 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.612 0.765 . . . . 0.0 110.866 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -134.83 -176.42 14.35 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.317 1.437 . . . . 0.0 112.257 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -71.61 173.9 11.83 Favored 'Trans proline' 0 CA--C 1.533 0.462 0 C-N-CA 124.144 3.229 . . . . 0.0 112.592 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 3.6 m -151.46 162.89 40.16 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 124.867 1.267 . . . . 0.0 108.13 178.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 25.9 p -147.8 143.94 27.85 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 108.075 -1.084 . . . . 0.0 108.075 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.401 0 N-CA-C 105.274 -3.13 . . . . 0.0 105.274 -179.326 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.738 0 N-CA-C 110.495 -1.042 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t -110.89 174.91 5.64 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 124.797 1.239 . . . . 0.0 109.195 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.2 t -139.38 97.58 3.32 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 122.364 1.078 . . . . 0.0 109.807 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.2 176.68 48.14 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 127.034 2.254 . . . . 0.0 107.62 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.3 p -48.24 101.58 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 126.865 2.066 . . . . 0.0 109.937 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.4 p -51.01 107.95 0.21 Allowed 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 126.372 1.869 . . . . 0.0 112.731 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.62 175.64 54.79 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 108.933 -1.667 . . . . 0.0 108.933 178.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -55.56 134.4 50.88 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 tp -61.72 -31.22 71.36 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.694 1.133 . . . . 0.0 112.225 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.4 p -63.03 -10.65 14.9 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.9 m -66.39 -31.48 72.28 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 177.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -76.25 -24.15 54.53 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.045 0.938 . . . . 0.0 110.841 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.37 -42.93 97.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -62.68 -30.27 71.27 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.316 0.647 . . . . 0.0 109.884 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -79.05 -34.16 44.03 Favored 'General case' 0 N--CA 1.462 0.138 0 O-C-N 121.176 -0.953 . . . . 0.0 109.202 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.6 mt -71.12 -29.08 64.81 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 118.369 -0.824 . . . . 0.0 110.208 179.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 35.7 mtt -58.36 -44.7 88.95 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.4 t -62.12 -23.87 66.8 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.508 1.123 . . . . 0.0 111.411 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -75.17 -3.91 35.73 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 120.198 1.363 . . . . 0.0 111.01 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.62 0.3 60.87 Favored Glycine 0 C--N 1.336 0.529 0 C-N-CA 124.942 1.258 . . . . 0.0 112.984 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -81.17 130.97 35.26 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 118.627 1.213 . . . . 0.0 108.074 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.5 m -70.69 154.3 41.99 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 178.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -53.52 -35.2 60.41 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 124.265 1.026 . . . . 0.0 111.576 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -60.29 -53.8 53.3 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.461 1.104 . . . . 0.0 109.45 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.94 -51.34 70.06 Favored 'General case' 0 N--CA 1.462 0.136 0 C-N-CA 124.526 1.13 . . . . 0.0 109.035 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.6 mt -55.01 -49.06 74.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 C-N-CA 122.834 0.454 . . . . 0.0 110.167 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.5 mm100 -60.51 -55.1 37.54 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 118.607 -0.711 . . . . 0.0 109.959 179.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -49.9 -44.94 50.35 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 119.056 0.844 . . . . 0.0 110.987 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.8 -40.71 96.16 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 118.891 -0.576 . . . . 0.0 110.154 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.6 mt -64.05 -52.42 59.5 Favored 'General case' 0 C--O 1.226 -0.146 0 CA-C-N 118.814 0.734 . . . . 0.0 110.031 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.2 t -56.17 -44.72 79.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 118.695 0.68 . . . . 0.0 111.48 -179.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 72.8 mt -73.01 -26.95 23.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 O-C-N 121.42 -0.8 . . . . 0.0 111.151 -179.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.96 12.62 19.05 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 120.928 -1.107 . . . . 0.0 111.251 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 55.6 m170 53.37 48.96 20.75 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 123.469 1.604 . . . . 0.0 109.694 -178.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.8 m120 60.26 9.64 2.02 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 129.76 3.224 . . . . 0.0 113.772 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 64.0 t-20 -72.28 100.49 2.63 Favored 'General case' 0 CA--C 1.528 0.097 0 CA-C-N 119.354 0.979 . . . . 0.0 108.558 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.9 tp -59.14 -34.95 54.99 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 118.46 0.573 . . . . 0.0 111.862 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -64.64 -40.13 94.91 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 119.561 1.073 . . . . 0.0 111.657 -178.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 23.8 ttt -77.2 -43.39 33.85 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 126.713 2.005 . . . . 0.0 108.274 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.45 -43.77 88.97 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.81 0.844 . . . . 0.0 109.803 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -58.71 -34.87 71.8 Favored 'General case' 0 N--CA 1.462 0.171 0 O-C-N 121.579 -0.701 . . . . 0.0 111.109 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -64.93 -43.97 91.0 Favored 'General case' 0 C--O 1.227 -0.09 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 69.3 mt -54.34 -53.71 27.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 179.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.52 -15.26 49.49 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -107.66 -10.22 15.69 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 120.039 1.291 . . . . 0.0 114.114 -178.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -102.38 -35.02 8.96 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 124.143 0.977 . . . . 0.0 109.442 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -103.88 -76.57 0.59 Allowed 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.935 0.894 . . . . 0.0 110.135 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.2 m -61.94 174.85 0.77 Allowed 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.426 1.89 . . . . 0.0 112.236 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -154.3 178.76 30.95 Favored Glycine 0 CA--C 1.533 1.21 0 O-C-N 121.685 -0.634 . . . . 0.0 112.994 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -72.0 178.63 5.69 Favored 'Trans proline' 0 CA--C 1.539 0.775 0 C-N-CA 124.393 3.395 . . . . 0.0 111.884 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.3 t -143.23 -169.57 3.07 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 124.176 0.99 . . . . 0.0 109.595 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.7 p -151.54 160.04 43.86 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 128.08 2.552 . . . . 0.0 106.116 178.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.304 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 -179.504 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.091 0 CA-C-O 120.975 0.209 . . . . 0.0 112.704 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.83 91.22 1.53 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.731 1.212 . . . . 0.0 107.877 179.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 16.7 t -59.85 135.65 57.76 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 124.633 1.173 . . . . 0.0 111.285 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.77 -174.44 41.46 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 127.557 2.503 . . . . 0.0 107.932 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 34.8 p -63.58 103.43 0.54 Allowed 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 178.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.46 157.37 11.39 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 124.791 1.236 . . . . 0.0 113.119 -178.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.6 -171.4 20.06 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 125.095 1.331 . . . . 0.0 111.452 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.38 132.14 43.58 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 125.336 1.454 . . . . 0.0 111.15 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 8.7 tp -70.38 -10.17 58.3 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.752 1.221 . . . . 0.0 112.719 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 2.0 p -70.13 -25.2 63.37 Favored 'General case' 0 N--CA 1.456 -0.174 0 O-C-N 121.048 -1.033 . . . . 0.0 111.372 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -62.25 -20.01 63.81 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.841 0.746 . . . . 0.0 112.284 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -85.7 -23.45 27.39 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.155 1.382 . . . . 0.0 111.022 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 89.5 mt -61.12 -47.29 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -60.86 -29.6 69.62 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.628 1.171 . . . . 0.0 111.606 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -69.49 -43.83 72.35 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 20.8 mt -66.5 -27.64 67.93 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.731 0.812 . . . . 0.0 111.233 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 33.9 mtt -61.49 -43.17 99.34 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 178.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 9.5 t -72.36 -21.29 61.32 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 122.161 -0.337 . . . . 0.0 110.775 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -74.03 -3.21 27.93 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 120.964 -1.085 . . . . 0.0 110.901 178.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.45 -0.4 59.81 Favored Glycine 0 C--N 1.339 0.703 0 C-N-CA 125.076 1.322 . . . . 0.0 114.246 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -81.9 135.04 35.44 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 118.816 1.308 . . . . 0.0 109.936 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 47.1 m -75.74 152.56 37.39 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.011 -0.736 . . . . 0.0 109.011 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -50.16 -42.65 51.37 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 19.3 mp0 -59.03 -53.52 57.51 Favored 'General case' 0 C--O 1.226 -0.133 0 C-N-CA 123.205 0.602 . . . . 0.0 110.169 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.4 -47.16 76.3 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 124.874 1.27 . . . . 0.0 109.043 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 70.8 mt -58.34 -52.0 64.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 122.946 0.498 . . . . 0.0 109.951 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 -62.46 -42.04 99.19 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 119.155 -0.45 . . . . 0.0 111.577 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -59.17 -47.51 85.04 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 123.296 0.639 . . . . 0.0 109.661 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.37 -40.56 94.76 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 120.472 -0.491 . . . . 0.0 109.821 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 12.0 mt -63.0 -54.41 38.66 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 118.672 -0.68 . . . . 0.0 112.129 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 8.3 p -58.78 -47.03 90.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 118.297 0.499 . . . . 0.0 111.846 -178.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 54.4 mt -64.09 -32.72 58.46 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-O 119.25 -0.405 . . . . 0.0 110.385 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.15 8.03 14.32 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.806 0.73 . . . . 0.0 111.668 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 3.7 m170 56.7 53.57 8.22 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.981 1.712 . . . . 0.0 107.524 -178.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 12.0 m120 67.26 -2.53 1.21 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 128.146 2.579 . . . . 0.0 113.514 -179.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -67.33 104.14 1.43 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 120.545 1.52 . . . . 0.0 110.946 -178.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 4.8 tp -56.36 -43.39 77.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 C-N-CA 125.284 1.433 . . . . 0.0 113.66 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -67.35 -49.48 63.87 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 125.096 1.358 . . . . 0.0 110.318 -178.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 14.3 ttt -61.21 -43.49 98.79 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.87 1.268 . . . . 0.0 108.069 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.68 -43.43 98.83 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.172 0.989 . . . . 0.0 109.935 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -58.69 -39.21 80.08 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 121.426 -0.796 . . . . 0.0 109.069 178.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -61.05 -40.16 92.58 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 118.556 0.616 . . . . 0.0 109.503 179.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 68.0 mt -59.25 -52.23 63.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 178.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 97.5 mt -61.52 -23.23 65.79 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.417 0.687 . . . . 0.0 112.268 179.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -81.24 -42.1 21.24 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 117.635 -1.174 . . . . 0.0 112.24 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -94.29 -15.5 24.42 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 -178.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -113.95 -69.0 0.89 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 119.597 1.089 . . . . 0.0 111.525 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 8.5 t -67.61 177.06 2.14 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.972 0.909 . . . . 0.0 111.081 -179.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -165.86 168.18 39.55 Favored Glycine 0 CA--C 1.533 1.157 0 O-C-N 121.499 -0.751 . . . . 0.0 111.565 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -68.53 173.29 10.04 Favored 'Trans proline' 0 CA--C 1.536 0.609 0 C-N-CA 124.008 3.139 . . . . 0.0 111.361 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.96 -171.46 2.53 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.566 1.547 . . . . 0.0 109.592 -179.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 62.9 p -140.49 149.44 42.5 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 178.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.876 0 N-CA-C 103.604 -3.798 . . . . 0.0 103.604 -177.834 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.764 0 N-CA-C 110.279 -1.128 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 p -73.48 -82.55 0.05 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.617 1.567 . . . . 0.0 109.175 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t -67.58 -21.76 65.41 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.511 0.724 . . . . 0.0 111.016 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.1 -164.66 52.94 Favored Glycine 0 C--N 1.337 0.617 0 N-CA-C 110.222 -1.151 . . . . 0.0 110.222 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 m -87.34 -37.13 17.39 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 123.907 0.883 . . . . 0.0 112.064 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 m -74.67 158.82 32.95 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 121.477 -0.764 . . . . 0.0 112.103 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.78 70.34 0.03 OUTLIER Glycine 0 CA--C 1.519 0.332 0 N-CA-C 108.598 -1.801 . . . . 0.0 108.598 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -120.58 76.32 1.19 Allowed 'General case' 0 C--O 1.231 0.132 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.8 mp -66.33 -20.78 66.18 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -178.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.8 m -54.12 -43.05 70.13 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 119.533 1.061 . . . . 0.0 110.611 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.9 m -62.68 -27.01 68.95 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.149 0.98 . . . . 0.0 111.389 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -82.1 -27.85 32.63 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.052 0.941 . . . . 0.0 110.271 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 74.5 mt -62.27 -44.81 99.57 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 N-CA-C 105.047 -2.205 . . . . 0.0 105.047 178.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -61.69 -35.48 78.11 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.336 -0.853 . . . . 0.0 110.66 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.6 mmp_? -64.0 -46.15 85.8 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.6 mt -66.23 -36.31 82.69 Favored 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 124.928 1.291 . . . . 0.0 111.483 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 49.9 mtt -58.33 -29.84 66.23 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 119.262 0.937 . . . . 0.0 110.398 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -72.64 6.3 2.55 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.547 1.939 . . . . 0.0 113.271 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -115.74 -3.09 12.28 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 126.103 1.761 . . . . 0.0 111.861 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.8 -15.36 55.65 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 125.004 1.288 . . . . 0.0 112.548 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -64.63 119.99 11.56 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 119.187 1.494 . . . . 0.0 109.691 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 59.3 m -71.42 158.98 35.33 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -51.6 -40.24 59.48 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 121.668 -0.645 . . . . 0.0 112.218 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -49.72 -58.97 4.27 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.514 1.126 . . . . 0.0 110.536 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.23 -47.14 87.45 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 126.228 1.811 . . . . 0.0 110.378 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 60.7 mt -56.52 -47.64 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 119.255 0.934 . . . . 0.0 110.325 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -63.69 -52.43 60.67 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-O 117.566 -1.207 . . . . 0.0 109.34 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -50.23 -41.83 50.72 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.257 1.39 . . . . 0.0 110.725 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.54 -50.14 66.31 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.232 0.613 . . . . 0.0 109.941 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.4 mt -60.92 -45.85 93.01 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 118.812 0.733 . . . . 0.0 111.37 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.3 t -56.21 -55.32 19.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 C-N-CA 126.739 2.016 . . . . 0.0 109.451 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.9 mt -67.53 -22.46 28.66 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.868 0 O-C-N 121.689 -0.632 . . . . 0.0 110.206 -178.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.0 9.07 29.34 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 125.225 1.41 . . . . 0.0 113.086 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 18.8 m170 56.23 40.09 30.07 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 118.652 0.66 . . . . 0.0 109.34 -178.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 66.25 24.88 10.64 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 127.129 2.172 . . . . 0.0 114.632 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -92.05 109.78 21.14 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 177.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.9 tp -68.44 -39.98 81.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-O 118.631 -0.699 . . . . 0.0 112.141 -179.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -57.09 -44.36 83.09 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 119.218 0.917 . . . . 0.0 109.684 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.5 ttt -65.79 -54.92 20.59 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 126.632 1.973 . . . . 0.0 109.003 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.95 -40.34 69.85 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.013 0.525 . . . . 0.0 111.616 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.0 mttm -58.67 -44.13 90.11 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 117.879 -1.057 . . . . 0.0 110.522 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -64.73 -43.6 92.84 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 118.829 0.741 . . . . 0.0 110.152 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 71.4 mt -58.37 -50.9 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 82.0 mt -61.87 -43.12 99.49 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 54.3 ttt85 -63.57 -35.35 80.2 Favored 'General case' 0 C--O 1.226 -0.184 0 CA-C-O 118.118 -0.944 . . . . 0.0 111.924 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -85.55 -69.2 0.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 119.721 1.146 . . . . 0.0 112.78 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -65.43 -51.14 62.36 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 125.099 1.36 . . . . 0.0 114.631 -177.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.0 t -88.92 14.13 11.18 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.227 1.411 . . . . 0.0 111.815 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -105.39 -169.74 23.83 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 120.796 -1.19 . . . . 0.0 114.376 -178.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -71.81 -24.6 21.13 Favored 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 122.692 2.261 . . . . 0.0 114.983 -179.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.7 t -68.24 120.58 14.63 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 126.305 1.842 . . . . 0.0 110.715 -179.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 53.5 m -80.86 -120.82 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.504 1.122 . . . . 0.0 109.848 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.267 0 N-CA-C 107.195 -2.362 . . . . 0.0 107.195 179.678 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.956 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 66.5 m -127.51 -18.25 4.44 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.937 1.295 . . . . 0.0 112.208 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -139.62 6.92 2.3 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.014 1.726 . . . . 0.0 110.187 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.24 -146.27 45.97 Favored Glycine 0 C--N 1.339 0.717 0 C-N-CA 125.446 1.498 . . . . 0.0 110.681 -179.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 13.7 m -109.87 -65.52 1.15 Allowed 'General case' 0 C--O 1.234 0.258 0 N-CA-C 105.681 -1.97 . . . . 0.0 105.681 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 70.0 m -64.9 150.36 47.94 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 178.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.31 60.65 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 42.1 mm-40 -91.27 150.17 21.44 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 107.2 -1.408 . . . . 0.0 107.2 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mp -114.19 -17.37 11.89 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 51.1 m -59.25 -42.72 91.79 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 119.975 1.262 . . . . 0.0 111.89 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 9.9 m -63.07 -20.46 65.36 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.137 0.575 . . . . 0.0 111.545 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -88.06 -29.38 20.7 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 123.618 0.767 . . . . 0.0 109.03 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 88.8 mt -65.62 -43.95 93.8 Favored 'Isoleucine or valine' 0 C--N 1.345 0.397 0 N-CA-C 104.184 -2.524 . . . . 0.0 104.184 177.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -56.82 -45.29 82.38 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.425 1.09 . . . . 0.0 109.158 178.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 8.1 mmp_? -61.62 -44.75 96.4 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 21.8 mt -65.49 -29.78 70.48 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.502 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 7.6 mtt -62.76 -42.75 99.83 Favored 'General case' 0 C--N 1.34 0.16 0 CA-C-N 120.361 1.437 . . . . 0.0 108.279 178.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 29.9 t -58.33 -26.11 62.71 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.657 0.783 . . . . 0.0 110.99 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -68.43 -13.39 62.27 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 119.922 -1.736 . . . . 0.0 110.451 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.35 -3.39 56.58 Favored Glycine 0 CA--C 1.526 0.771 0 C-N-CA 126.423 1.963 . . . . 0.0 114.27 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -69.56 165.07 21.86 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 118.927 1.363 . . . . 0.0 112.443 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 66.5 m -80.9 151.84 28.4 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.638 1.575 . . . . 0.0 109.603 178.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -58.09 -45.36 87.29 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 119.324 0.965 . . . . 0.0 110.659 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -55.08 -51.09 67.48 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 124.723 1.209 . . . . 0.0 111.302 -179.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.82 -37.22 73.41 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.937 0.895 . . . . 0.0 110.634 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 75.3 mt -63.3 -48.71 86.11 Favored 'Isoleucine or valine' 0 C--O 1.231 0.082 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -62.52 -45.31 93.58 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-O 119.054 -0.498 . . . . 0.0 110.494 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -58.53 -48.06 82.12 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 123.338 0.655 . . . . 0.0 109.995 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.23 -38.69 91.19 Favored 'General case' 0 C--O 1.226 -0.136 0 CA-C-N 118.984 0.811 . . . . 0.0 110.463 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 19.2 mt -62.0 -52.41 64.09 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 118.349 -0.834 . . . . 0.0 110.814 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 11.1 p -60.46 -48.22 89.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-N 118.761 0.71 . . . . 0.0 111.368 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 56.8 mt -63.31 -31.02 51.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 CA-C-N 118.868 0.758 . . . . 0.0 109.583 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.31 7.9 10.4 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.305 1.042 . . . . 0.0 111.566 178.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 58.5 m170 55.16 43.61 29.15 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.052 1.341 . . . . 0.0 107.881 -177.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 67.2 8.91 6.55 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 129.127 2.971 . . . . 0.0 113.664 -178.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -74.64 106.28 6.14 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 121.159 1.8 . . . . 0.0 106.749 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 8.8 tp -59.89 -39.71 80.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 124.3 1.04 . . . . 0.0 113.045 -179.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -68.97 -45.06 71.62 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 119.258 0.936 . . . . 0.0 109.09 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 11.4 ttt -59.69 -46.49 88.92 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 178.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.08 97.17 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -56.0 -37.46 69.17 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-O 117.973 -1.013 . . . . 0.0 108.933 178.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -66.28 -51.24 59.42 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.585 1.084 . . . . 0.0 108.341 178.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 65.3 mt -50.01 -52.78 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-O 121.972 0.892 . . . . 0.0 108.742 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 76.5 mt -65.51 -35.36 80.63 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 124.859 1.264 . . . . 0.0 114.179 -178.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 33.1 ttt85 -71.02 -27.04 63.39 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 120.525 1.512 . . . . 0.0 112.648 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -91.88 -78.66 0.4 Allowed 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -57.73 -61.06 2.79 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 125.823 1.649 . . . . 0.0 114.506 -178.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 4.0 t -76.43 4.05 9.87 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 118.822 0.737 . . . . 0.0 110.494 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.11 -173.6 40.62 Favored Glycine 0 N--CA 1.441 -0.981 0 C-N-CA 124.529 1.061 . . . . 0.0 111.994 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -73.59 12.3 0.91 Allowed 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 125.191 3.927 . . . . 0.0 112.536 179.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 3.9 t -70.02 171.66 9.15 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 121.107 -0.996 . . . . 0.0 108.929 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 19.8 m -132.96 -18.92 2.3 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 114.417 1.265 . . . . 0.0 114.417 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.169 0 N-CA-C 106.824 -2.511 . . . . 0.0 106.824 -178.562 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.772 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -59.44 122.48 14.08 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.8 p -134.68 -2.91 2.64 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 124.612 1.165 . . . . 0.0 112.498 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.6 141.1 6.78 Favored Glycine 0 C--N 1.338 0.667 0 CA-C-N 119.415 1.007 . . . . 0.0 112.612 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 m -79.32 167.46 20.87 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.708 0.803 . . . . 0.0 110.443 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.17 177.99 8.74 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 124.704 1.201 . . . . 0.0 109.463 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.69 -106.39 2.05 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 105.642 -2.983 . . . . 0.0 105.642 -178.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -86.89 115.8 24.54 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 117.599 0.7 . . . . 0.0 109.151 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.6 tp -93.02 -18.45 22.66 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.587 1.155 . . . . 0.0 109.0 178.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 61.6 m -57.12 -28.7 62.92 Favored 'General case' 0 C--N 1.342 0.276 0 C-N-CA 124.567 1.147 . . . . 0.0 110.829 178.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.6 -8.92 4.97 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 125.935 1.694 . . . . 0.0 113.17 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -111.46 -25.87 9.38 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.131 1.772 . . . . 0.0 108.918 178.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 59.0 mt -67.57 -45.41 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 N-CA-C 105.416 -2.068 . . . . 0.0 105.416 177.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -59.71 -28.84 67.67 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.593 0.757 . . . . 0.0 111.353 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -75.76 -38.49 58.33 Favored 'General case' 0 CA--C 1.513 -0.48 0 C-N-CA 123.85 0.86 . . . . 0.0 110.485 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.3 mt -62.15 -38.72 90.07 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 41.4 mtt -60.18 -29.02 68.42 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 118.322 0.51 . . . . 0.0 111.195 179.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 t -61.7 -44.29 97.21 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 124.717 1.207 . . . . 0.0 111.466 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -67.1 -22.88 65.8 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 117.914 -1.041 . . . . 0.0 112.549 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 125.28 13.37 3.56 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 124.56 1.076 . . . . 0.0 113.171 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -83.36 177.07 8.66 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 119.234 1.517 . . . . 0.0 110.623 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.1 t -127.56 152.42 47.64 Favored 'General case' 0 CA--C 1.518 -0.281 0 O-C-N 121.42 -0.8 . . . . 0.0 110.977 -178.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -53.48 -37.72 62.97 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 122.891 0.477 . . . . 0.0 111.414 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -60.63 -61.91 2.25 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 118.495 0.589 . . . . 0.0 110.867 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -56.51 -46.9 80.3 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 123.667 0.787 . . . . 0.0 109.732 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.4 mt -54.37 -48.64 68.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-N 119.972 1.26 . . . . 0.0 110.044 179.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -64.83 -39.13 93.08 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 118.462 -0.78 . . . . 0.0 112.035 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -61.54 -42.74 99.28 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 178.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.47 -44.08 88.29 Favored 'General case' 0 C--O 1.226 -0.174 0 O-C-N 121.461 -0.774 . . . . 0.0 109.85 179.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.2 mt -62.2 -32.34 72.98 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 118.014 -0.993 . . . . 0.0 113.393 -179.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.7 p -76.9 -47.33 27.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.145 0 CA-C-N 119.891 1.223 . . . . 0.0 109.747 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 76.4 mt -64.85 -32.73 59.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.49 6.07 9.38 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.968 0.907 . . . . 0.0 111.638 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.9 m170 55.78 51.37 12.47 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.725 1.61 . . . . 0.0 109.473 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.3 m120 64.22 14.38 8.61 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 127.582 2.353 . . . . 0.0 113.363 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -85.69 103.97 14.99 Favored 'General case' 0 C--O 1.232 0.154 0 O-C-N 120.469 -1.394 . . . . 0.0 109.062 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.4 tp -61.55 -37.81 78.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 123.888 0.875 . . . . 0.0 111.876 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -65.93 -51.76 55.73 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 119.475 1.034 . . . . 0.0 109.105 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.4 ' HE2' ' HA ' ' B' ' 33' ' ' ALA . 6.1 ttt -57.66 -47.2 82.95 Favored 'General case' 0 C--N 1.334 -0.072 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 179.302 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.56 -45.09 92.84 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 122.96 0.504 . . . . 0.0 110.353 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.4 mttm -57.42 -37.58 72.98 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 119.574 1.079 . . . . 0.0 109.935 179.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -65.1 -43.86 90.7 Favored 'General case' 0 C--O 1.226 -0.161 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 178.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 82.8 mt -58.92 -53.28 49.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 22.5 mt -57.6 -29.11 64.22 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.069 0.947 . . . . 0.0 110.428 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -78.11 -63.4 1.4 Allowed 'General case' 0 C--O 1.224 -0.255 0 O-C-N 120.964 -1.085 . . . . 0.0 111.224 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -64.8 -27.34 68.82 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 -177.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -108.31 -53.91 2.57 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 119.141 0.882 . . . . 0.0 113.376 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.68 -10.32 59.3 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 120.401 -0.52 . . . . 0.0 111.486 -179.315 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -103.88 -175.62 25.71 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 125.048 1.308 . . . . 0.0 110.033 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -78.41 -163.63 0.23 Allowed 'Trans proline' 0 CA--C 1.542 0.901 0 C-N-CA 124.336 3.357 . . . . 0.0 110.028 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.1 t -121.73 3.82 10.06 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.073 1.349 . . . . 0.0 109.893 178.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.6 m -148.17 54.5 1.03 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.854 2.062 . . . . 0.0 107.287 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.961 0 N-CA-C 107.654 -2.178 . . . . 0.0 107.654 -179.758 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.663 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.0 t -70.45 142.07 52.01 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.062 0.931 . . . . 0.0 110.397 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.7 p -121.52 1.67 10.11 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.169 1.788 . . . . 0.0 112.55 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.38 165.24 11.43 Favored Glycine 0 CA--C 1.527 0.834 0 C-N-CA 124.877 1.227 . . . . 0.0 111.104 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 22.6 p -80.19 179.62 7.55 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.964 1.306 . . . . 0.0 109.435 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -163.59 163.21 24.57 Favored 'General case' 0 C--O 1.234 0.242 0 O-C-N 120.842 -1.161 . . . . 0.0 109.434 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.95 -36.89 3.51 Favored Glycine 0 C--N 1.333 0.368 0 CA-C-O 118.252 -1.304 . . . . 0.0 113.878 178.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -145.83 77.05 1.49 Allowed 'General case' 0 N--CA 1.457 -0.118 0 CA-C-N 119.693 1.746 . . . . 0.0 108.644 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 mp -62.98 -21.89 66.45 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 121.373 -0.83 . . . . 0.0 111.331 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 40.2 m -60.4 -24.75 65.39 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.025 0.83 . . . . 0.0 110.782 178.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 19.9 m -61.06 -34.6 75.15 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 121.092 -1.005 . . . . 0.0 110.783 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -80.73 -24.98 38.37 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.55 -0.718 . . . . 0.0 110.47 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 57.5 mt -61.97 -44.63 99.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 N-CA-C 105.55 -2.018 . . . . 0.0 105.55 178.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -65.38 -32.42 74.04 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.56 -0.712 . . . . 0.0 111.592 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -69.05 -37.25 78.46 Favored 'General case' 0 C--O 1.232 0.177 0 O-C-N 121.14 -0.975 . . . . 0.0 108.618 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 14.4 mt -68.03 -45.19 74.67 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 43.8 mtt -49.88 -36.71 28.21 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.921 0.888 . . . . 0.0 111.812 179.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -55.22 -27.98 49.93 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.04 1.736 . . . . 0.0 112.85 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -78.9 -8.17 58.62 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.666 1.186 . . . . 0.0 112.057 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.85 11.97 29.06 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.387 1.47 . . . . 0.0 110.255 -178.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -80.58 162.44 24.27 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-N 118.743 1.272 . . . . 0.0 108.862 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 29.2 t -117.65 155.39 29.98 Favored 'General case' 0 CA--C 1.52 -0.186 0 C-N-CA 124.001 0.92 . . . . 0.0 109.59 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -53.49 -36.5 61.76 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.42 1.088 . . . . 0.0 110.34 178.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -57.95 -57.75 11.42 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 122.791 0.436 . . . . 0.0 110.992 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -64.62 -45.14 88.17 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.271 1.029 . . . . 0.0 111.06 -179.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 35.4 mt -55.09 -48.81 75.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 CA-C-N 119.513 1.051 . . . . 0.0 109.48 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -65.79 -45.86 80.85 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.634 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -54.56 -35.19 62.99 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 120.195 1.361 . . . . 0.0 111.335 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.39 -48.57 40.42 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 18.6 mt -53.63 -44.87 69.9 Favored 'General case' 0 C--N 1.338 0.099 0 CA-C-O 118.357 -0.83 . . . . 0.0 110.776 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 93.5 t -55.04 -50.53 62.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 123.804 0.841 . . . . 0.0 110.767 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 40.5 mt -68.5 -31.1 49.79 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 C-N-CA 123.781 0.833 . . . . 0.0 110.409 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . 0.4 ' HA ' ' HE2' ' A' ' 39' ' ' MET . . . -83.13 14.07 3.69 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-O 117.816 -1.088 . . . . 0.0 111.772 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 27.0 m170 55.2 39.24 31.34 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 120.848 1.658 . . . . 0.0 109.303 -178.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 m120 64.79 10.66 6.25 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 127.95 2.5 . . . . 0.0 112.321 -179.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -72.53 104.52 3.87 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 6.4 tp -63.61 -38.12 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 O-C-N 121.645 -0.659 . . . . 0.0 112.356 -179.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -62.37 -49.28 76.16 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 119.074 0.852 . . . . 0.0 109.379 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 8.9 ttt -62.31 -48.45 79.81 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.61 -43.47 84.78 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 121.702 -0.623 . . . . 0.0 110.841 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -56.64 -35.82 68.8 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.593 0.757 . . . . 0.0 109.464 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -67.75 -47.58 68.83 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 26.3 mt -54.52 -58.15 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.006 0.923 . . . . 0.0 108.573 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 15.2 mt -53.72 -41.99 67.62 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 126.87 2.068 . . . . 0.0 110.919 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 54.5 ttt180 -62.38 -40.95 98.13 Favored 'General case' 0 C--O 1.227 -0.105 0 CA-C-N 119.138 0.881 . . . . 0.0 112.079 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -87.95 -58.26 2.63 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 -178.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -72.83 -21.66 60.92 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 116.043 1.868 . . . . 0.0 116.043 -177.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 4.8 t -120.27 -6.54 9.87 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 118.74 0.7 . . . . 0.0 111.52 -178.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -111.41 -177.37 20.32 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 125.373 1.463 . . . . 0.0 110.661 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -73.21 141.26 32.08 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.969 2.446 . . . . 0.0 113.484 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 4.7 t -75.05 -15.63 60.62 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.773 0.829 . . . . 0.0 111.703 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 15.7 m -126.39 1.57 7.0 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.069 0.948 . . . . 0.0 113.14 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.208 0 N-CA-C 109.132 -1.587 . . . . 0.0 109.132 -179.783 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.237 0 N-CA-C 112.295 -0.322 . . . . 0.0 112.295 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.8 t -146.8 153.91 40.74 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 124.662 1.185 . . . . 0.0 109.778 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.3 p -67.61 151.94 46.46 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 123.533 0.733 . . . . 0.0 111.099 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.83 -3.55 43.3 Favored Glycine 0 CA--C 1.533 1.218 0 O-C-N 121.52 -0.737 . . . . 0.0 113.092 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t -76.57 153.96 34.91 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 119.095 1.448 . . . . 0.0 108.94 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 p -75.47 -48.27 23.44 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 124.975 1.31 . . . . 0.0 111.324 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.48 -41.15 1.94 Allowed Glycine 0 CA--C 1.527 0.8 0 N-CA-C 108.203 -1.959 . . . . 0.0 108.203 -178.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -61.18 135.27 57.69 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 123.772 0.829 . . . . 0.0 110.639 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.9 mp -70.96 -19.86 62.51 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.18 0.592 . . . . 0.0 111.592 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.6 m -51.75 -49.63 62.21 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 125.32 1.448 . . . . 0.0 112.495 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.4 m -70.92 -18.19 62.66 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -179.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -81.71 -30.05 32.73 Favored 'General case' 0 N--CA 1.458 -0.053 0 O-C-N 121.18 -0.95 . . . . 0.0 110.252 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.2 mt -62.37 -40.1 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 N-CA-C 105.516 -2.031 . . . . 0.0 105.516 178.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -59.73 -48.4 81.84 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 53.5 mtm180 -65.39 -23.01 66.86 Favored 'General case' 0 C--N 1.342 0.262 0 O-C-N 121.819 -0.551 . . . . 0.0 111.545 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 26.1 mt -76.83 -33.98 57.91 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 119.848 1.204 . . . . 0.0 108.303 178.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 30.3 mtt -62.01 -33.96 75.32 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 108.199 -1.038 . . . . 0.0 108.199 178.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.2 m -60.14 -39.85 87.77 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.154 1.382 . . . . 0.0 109.725 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -69.67 -8.78 50.68 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.213 1.005 . . . . 0.0 111.86 178.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.54 -6.94 45.73 Favored Glycine 0 CA--C 1.524 0.625 0 C-N-CA 125.58 1.562 . . . . 0.0 114.435 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -62.57 143.09 57.64 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -178.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.8 m -81.64 146.22 30.18 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.265 1.426 . . . . 0.0 107.614 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -54.0 -45.13 71.38 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.445 1.098 . . . . 0.0 111.082 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -57.96 -54.32 48.23 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 123.264 0.626 . . . . 0.0 109.601 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -56.04 -44.97 79.31 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.07 0.548 . . . . 0.0 110.188 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 60.5 mt -58.76 -56.51 16.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 O-C-N 121.168 -0.958 . . . . 0.0 109.755 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -56.46 -45.71 80.71 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 118.707 -0.663 . . . . 0.0 111.874 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -60.96 -42.59 98.57 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.082 0.953 . . . . 0.0 109.597 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.25 -45.55 84.13 Favored 'General case' 0 CA--C 1.528 0.125 0 O-C-N 121.169 -0.957 . . . . 0.0 110.546 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 47.6 mt -61.35 -46.99 87.94 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 114.471 1.285 . . . . 0.0 114.471 -178.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.8 p -61.9 -45.89 97.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 118.109 0.413 . . . . 0.0 109.946 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 87.2 mt -67.27 -37.93 79.99 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 O-C-N 121.942 -0.474 . . . . 0.0 110.2 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.63 2.83 4.62 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 118.585 -0.722 . . . . 0.0 111.817 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 32.8 m170 58.4 59.64 2.91 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.482 1.913 . . . . 0.0 108.7 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 52.29 40.61 29.48 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 126.337 1.855 . . . . 0.0 112.605 178.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -115.98 99.29 7.16 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.6 tp -60.71 -36.22 69.4 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.164 0 C-N-CA 124.525 1.13 . . . . 0.0 111.756 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -67.61 -50.9 55.86 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 123.827 0.851 . . . . 0.0 109.187 -179.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 17.7 ttt -61.06 -46.36 91.0 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.45 -36.71 83.32 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 121.324 -0.86 . . . . 0.0 111.152 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -61.42 -34.09 74.8 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.427 1.012 . . . . 0.0 109.349 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -65.07 -50.81 64.7 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 178.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 53.1 mt -54.3 -56.2 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 C-N-CA 123.992 0.917 . . . . 0.0 109.18 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.0 mt -55.01 -25.35 29.55 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.994 0.917 . . . . 0.0 112.934 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -91.26 -49.03 6.58 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 120.764 1.62 . . . . 0.0 110.35 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -67.77 -28.54 67.7 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 117.952 -1.023 . . . . 0.0 113.47 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -112.73 -21.98 10.94 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.1 m -126.55 16.18 7.6 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.487 1.04 . . . . 0.0 112.766 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -135.6 167.07 24.37 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 125.947 1.737 . . . . 0.0 108.788 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -74.73 138.2 23.41 Favored 'Trans proline' 0 N--CA 1.449 -1.133 0 C-N-CA 122.33 2.02 . . . . 0.0 110.621 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.3 t -81.38 67.4 7.3 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 106.642 -1.614 . . . . 0.0 106.642 178.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.3 m -64.99 -9.83 24.68 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.346 1.058 . . . . 0.0 112.167 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.917 0 N-CA-C 106.883 -2.487 . . . . 0.0 106.883 179.595 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.953 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 45.1 t -157.03 164.97 37.38 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 124.952 1.301 . . . . 0.0 107.685 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.0 p -71.73 148.09 46.72 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.78 28.29 62.89 Favored Glycine 0 CA--C 1.532 1.112 0 CA-C-O 119.181 -0.788 . . . . 0.0 112.529 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -99.83 106.33 18.18 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 105.009 -2.219 . . . . 0.0 105.009 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 88.9 p -66.84 -5.89 14.15 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.131 1.772 . . . . 0.0 114.662 -178.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.46 -40.09 3.09 Favored Glycine 0 CA--C 1.526 0.738 0 CA-C-O 118.638 -1.09 . . . . 0.0 111.589 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -60.87 163.01 6.14 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 118.784 1.292 . . . . 0.0 111.306 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 7.4 mp -108.21 -13.4 14.92 Favored 'General case' 0 C--O 1.226 -0.174 0 N-CA-C 113.229 0.826 . . . . 0.0 113.229 -178.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 1.8 p -56.73 -59.2 5.37 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 124.584 1.153 . . . . 0.0 110.297 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 18.0 m -61.43 -21.34 64.04 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 122.848 0.459 . . . . 0.0 111.669 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -75.48 -26.6 58.32 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 120.695 -1.253 . . . . 0.0 110.802 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 77.9 mt -66.57 -45.08 89.58 Favored 'Isoleucine or valine' 0 C--N 1.341 0.238 0 N-CA-C 104.36 -2.459 . . . . 0.0 104.36 177.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -61.49 -40.18 93.63 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.911 0.885 . . . . 0.0 108.913 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 32.7 mtm180 -64.98 -33.0 74.99 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 119.133 0.879 . . . . 0.0 109.958 178.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 23.1 mt -70.27 -35.87 74.03 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 118.966 0.803 . . . . 0.0 108.997 178.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 53.9 mtt -56.12 -32.0 63.82 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 118.725 0.693 . . . . 0.0 110.904 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 6.4 m -60.7 -28.62 68.77 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.93 0.892 . . . . 0.0 111.84 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -80.77 -10.29 59.74 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 118.886 0.766 . . . . 0.0 110.719 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.05 3.63 48.39 Favored Glycine 0 CA--C 1.524 0.597 0 C-N-CA 124.883 1.23 . . . . 0.0 112.604 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -65.43 155.34 35.8 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 119.908 1.854 . . . . 0.0 110.189 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 30.8 t -92.25 143.04 26.82 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.727 1.611 . . . . 0.0 108.286 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -55.66 -39.18 70.57 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.754 0.822 . . . . 0.0 110.334 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -60.92 -51.64 68.4 Favored 'General case' 0 C--N 1.339 0.142 0 C-N-CA 122.744 0.418 . . . . 0.0 110.996 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -61.91 -42.01 98.58 Favored 'General case' 0 N--CA 1.46 0.063 0 CA-C-N 117.923 0.329 . . . . 0.0 110.247 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 39.8 mt -61.02 -47.73 92.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-N 118.717 0.689 . . . . 0.0 109.448 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -60.07 -54.45 45.77 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.264 0.626 . . . . 0.0 109.342 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -53.47 -35.65 60.77 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 121.598 -0.688 . . . . 0.0 110.934 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.4 -52.17 29.56 Favored 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 123.696 0.799 . . . . 0.0 109.623 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 24.4 mt -53.95 -46.13 71.48 Favored 'General case' 0 CA--C 1.52 -0.207 0 C-N-CA 124.304 1.042 . . . . 0.0 111.632 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 93.1 t -55.53 -56.84 9.86 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 124.1 0.96 . . . . 0.0 109.458 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 53.0 mt -64.43 -26.44 40.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 C-N-CA 123.905 0.882 . . . . 0.0 111.384 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.42 7.42 25.88 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.571 1.148 . . . . 0.0 111.267 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 19.0 m170 55.12 50.14 15.9 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.764 1.226 . . . . 0.0 109.951 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 54.5 52.7 11.89 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 125.984 1.714 . . . . 0.0 111.275 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -123.71 110.71 15.29 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.636 1.174 . . . . 0.0 108.528 178.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 4.1 tp -63.95 -42.94 97.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 C-N-CA 125.374 1.47 . . . . 0.0 112.186 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -68.38 -40.26 81.47 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 124.491 1.117 . . . . 0.0 111.048 -178.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 13.7 ttt -69.89 -46.27 65.82 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 106.776 -1.564 . . . . 0.0 106.776 178.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.57 -39.71 84.98 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.072 0.549 . . . . 0.0 110.672 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -55.71 -46.45 77.71 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.244 1.018 . . . . 0.0 108.753 178.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -57.82 -47.28 83.08 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 119.116 -0.468 . . . . 0.0 109.775 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 20.8 mt -57.46 -54.12 35.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 95.5 mt -60.93 -14.49 22.86 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.41 1.084 . . . . 0.0 112.63 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -95.16 -33.74 12.52 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 120.494 1.497 . . . . 0.0 110.178 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -89.72 -39.81 12.92 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -92.9 -74.92 0.51 Allowed 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 124.334 1.054 . . . . 0.0 109.062 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 2.3 m -75.41 13.22 0.79 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.03 0.932 . . . . 0.0 112.684 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -123.7 164.79 16.72 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 109.576 -1.409 . . . . 0.0 109.576 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -77.33 -179.69 5.67 Favored 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 122.572 2.181 . . . . 0.0 111.679 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.7 t -125.01 104.22 8.44 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 125.577 1.551 . . . . 0.0 107.511 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.86 -22.29 8.59 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 126.027 1.731 . . . . 0.0 110.447 179.361 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 N-CA-C 105.253 -3.139 . . . . 0.0 105.253 179.75 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.106 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m -71.67 176.22 5.01 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 124.907 1.283 . . . . 0.0 114.127 -178.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 t -144.82 172.51 12.92 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.366 1.866 . . . . 0.0 109.413 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.33 110.61 3.34 Favored Glycine 0 C--N 1.337 0.59 0 C-N-CA 125.224 1.392 . . . . 0.0 109.638 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -146.19 103.53 3.73 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 104.561 -2.385 . . . . 0.0 104.561 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.3 m -54.93 146.32 17.94 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -178.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.68 -27.43 0.04 OUTLIER Glycine 0 CA--C 1.526 0.739 0 CA-C-O 117.954 -1.47 . . . . 0.0 115.033 179.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -150.53 83.13 1.36 Allowed 'General case' 0 C--N 1.343 0.322 0 CA-C-N 120.813 2.307 . . . . 0.0 113.71 -179.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 mp -57.03 -23.53 47.08 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.906 178.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.2 m -62.34 -43.27 99.22 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.362 0.665 . . . . 0.0 110.532 178.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.6 m -75.67 -26.54 57.73 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 118.664 -0.684 . . . . 0.0 110.056 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -65.0 -35.75 82.19 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.58 1.082 . . . . 0.0 108.359 178.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.1 mt -61.82 -41.22 89.86 Favored 'Isoleucine or valine' 0 C--N 1.34 0.172 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 178.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -64.01 -33.44 75.75 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -66.39 -34.76 78.68 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.74 1.154 . . . . 0.0 108.573 177.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.5 mt -69.41 -33.06 72.45 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 118.491 -0.766 . . . . 0.0 109.105 178.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 64.6 mtt -60.8 -35.37 76.3 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 177.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.0 m -66.4 4.95 0.64 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.661 1.584 . . . . 0.0 112.92 179.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -121.35 1.0 10.15 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 126.601 1.96 . . . . 0.0 110.037 178.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.28 -6.61 66.1 Favored Glycine 0 CA--C 1.526 0.737 0 C-N-CA 126.44 1.971 . . . . 0.0 116.078 178.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -70.98 127.41 32.49 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 119.857 1.828 . . . . 0.0 110.779 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.1 m -68.76 145.86 53.43 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.264 0.626 . . . . 0.0 109.347 179.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -55.42 -40.65 71.74 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.657 0.783 . . . . 0.0 113.053 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.4 mp0 -54.18 -47.02 72.5 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.463 1.105 . . . . 0.0 110.187 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -70.26 -47.31 61.83 Favored 'General case' 0 CA--C 1.519 -0.231 0 C-N-CA 126.375 1.87 . . . . 0.0 110.32 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.2 mt -53.92 -46.75 64.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -57.04 -49.85 74.55 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 117.733 -1.127 . . . . 0.0 110.359 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -51.57 -40.89 60.63 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 120.139 1.336 . . . . 0.0 110.861 179.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.03 -47.94 72.75 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-O 118.682 -0.675 . . . . 0.0 110.062 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.97 -44.99 91.61 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 119.145 0.884 . . . . 0.0 110.775 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.8 t -55.15 -55.94 13.8 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 C-N-CA 124.806 1.243 . . . . 0.0 109.769 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.4 mt -67.88 -27.36 37.49 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 123.46 0.704 . . . . 0.0 111.231 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.55 0.44 42.68 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 120.69 -1.256 . . . . 0.0 110.779 178.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 20.1 m170 59.75 51.37 6.24 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.734 1.614 . . . . 0.0 108.391 -178.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m120 57.15 27.4 13.43 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 127.546 2.338 . . . . 0.0 113.028 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -95.97 103.89 15.8 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 106.822 -1.547 . . . . 0.0 106.822 178.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.0 tp -65.41 -37.7 80.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 O-C-N 121.61 -0.681 . . . . 0.0 112.645 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.71 -35.76 77.13 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.795 0.838 . . . . 0.0 110.714 -179.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 15.9 ttt -80.36 -47.35 14.6 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 127.792 2.437 . . . . 0.0 109.032 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.02 -37.75 72.15 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 121.586 -0.696 . . . . 0.0 110.897 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -56.73 -47.55 79.76 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 123.612 0.765 . . . . 0.0 109.36 178.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -60.11 -45.26 93.56 Favored 'General case' 0 CA--C 1.529 0.152 0 O-C-N 123.752 0.658 . . . . 0.0 109.806 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 67.4 mt -53.46 -57.45 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 123.562 0.745 . . . . 0.0 109.526 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.5 mt -59.17 -55.17 38.35 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.071 0.948 . . . . 0.0 111.677 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -58.01 -36.94 73.39 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 114.017 1.118 . . . . 0.0 114.017 -178.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -77.22 -72.9 0.32 Allowed 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 119.227 0.921 . . . . 0.0 109.722 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -61.55 -54.39 43.75 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 115.743 1.756 . . . . 0.0 115.743 -177.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.3 t -80.79 -11.03 59.67 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 -178.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.95 176.99 35.11 Favored Glycine 0 CA--C 1.529 0.922 0 CA-C-N 119.601 1.091 . . . . 0.0 110.557 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -65.46 120.84 8.11 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 122.34 2.027 . . . . 0.0 109.241 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.9 t -81.12 60.49 4.29 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.821 1.648 . . . . 0.0 107.142 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.4 t -136.47 158.97 43.19 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 126.17 1.788 . . . . 0.0 107.578 -178.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.227 0 N-CA-C 106.165 -2.774 . . . . 0.0 106.165 -179.22 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.812 0 N-CA-C 108.677 -1.769 . . . . 0.0 108.677 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -119.04 72.88 0.91 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.428 1.114 . . . . 0.0 111.993 -178.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.9 p -77.51 160.04 28.92 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 177.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.66 23.22 0.23 Allowed Glycine 0 CA--C 1.521 0.466 0 CA-C-O 118.977 -0.902 . . . . 0.0 112.979 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.42 154.24 36.23 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 178.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 74.1 m -130.97 151.86 50.92 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.7 -35.27 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.462 0 CA-C-O 117.765 -1.575 . . . . 0.0 113.606 -179.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -132.33 96.81 3.95 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 119.71 1.755 . . . . 0.0 110.607 -179.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 9.7 mp -61.63 -28.86 69.67 Favored 'General case' 0 N--CA 1.46 0.071 0 C-N-CA 125.34 1.456 . . . . 0.0 109.701 179.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 6.2 m -55.12 -35.95 65.21 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.95 1.3 . . . . 0.0 110.304 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 8.3 m -83.25 -12.8 56.4 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.132 0.973 . . . . 0.0 111.734 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -89.25 -33.37 17.0 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 124.481 1.112 . . . . 0.0 108.803 178.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 35.0 mt -59.65 -39.59 79.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -65.06 -35.15 80.25 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.807 -0.558 . . . . 0.0 110.546 178.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -61.33 -39.53 90.89 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 119.012 0.824 . . . . 0.0 108.918 179.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 12.2 mt -67.95 -33.7 75.16 Favored 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 64.0 mtt -61.72 -36.91 82.32 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 119.259 0.936 . . . . 0.0 108.604 177.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 4.8 m -56.84 -34.54 67.88 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.683 0.674 . . . . 0.0 110.645 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -71.43 -9.81 58.76 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.016 0.825 . . . . 0.0 112.076 178.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.29 -3.34 47.25 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 125.538 1.542 . . . . 0.0 114.9 178.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -71.33 162.83 28.79 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 119.645 1.722 . . . . 0.0 113.043 -179.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 7.8 m -88.01 154.07 20.78 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.768 1.227 . . . . 0.0 109.659 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -61.93 -45.53 93.29 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.979 0.912 . . . . 0.0 112.043 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 -53.49 -51.68 61.99 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 124.081 0.953 . . . . 0.0 110.347 -179.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . 0.597 ' HA ' ' HE2' ' B' ' 28' ' ' LYS . 40.1 m-20 -55.66 -47.84 76.01 Favored 'General case' 0 CA--C 1.521 -0.158 0 C-N-CA 124.033 0.933 . . . . 0.0 109.789 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 57.7 mt -56.72 -50.34 74.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -58.33 -43.39 88.23 Favored 'General case' 0 C--N 1.34 0.158 0 CA-C-O 118.289 -0.863 . . . . 0.0 112.162 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.597 ' HE2' ' HA ' ' B' ' 25' ' ' ASP . 24.4 mtmt -57.29 -49.73 75.16 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 179.028 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.95 -41.53 99.54 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 117.919 -1.039 . . . . 0.0 111.478 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -59.25 -52.89 63.73 Favored 'General case' 0 C--N 1.341 0.22 0 CA-C-N 119.994 1.27 . . . . 0.0 111.174 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 8.8 p -61.09 -48.64 88.13 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 O-C-N 123.427 0.454 . . . . 0.0 110.776 -179.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 71.1 mt -60.66 -35.18 62.07 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-O 118.985 -0.531 . . . . 0.0 110.223 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.99 5.99 7.06 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.145 0.978 . . . . 0.0 112.439 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 19.0 m170 63.6 44.31 5.26 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.091 1.756 . . . . 0.0 109.003 -178.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 56.58 50.42 12.87 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 128.257 2.623 . . . . 0.0 111.064 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -121.28 103.26 8.85 Favored 'General case' 0 CA--C 1.521 -0.14 0 C-N-CA 125.402 1.481 . . . . 0.0 109.12 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 10.2 tp -57.68 -40.8 77.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 C-N-CA 124.035 0.934 . . . . 0.0 113.446 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -59.29 -53.43 58.38 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 124.012 0.925 . . . . 0.0 110.226 -178.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 13.3 ttt -64.39 -45.82 85.99 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 126.176 1.791 . . . . 0.0 109.678 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.94 -43.78 94.76 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.265 0.626 . . . . 0.0 111.07 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -55.16 -36.83 66.26 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.436 179.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -68.89 -43.04 76.09 Favored 'General case' 0 N--CA 1.454 -0.269 0 O-C-N 123.633 0.583 . . . . 0.0 109.56 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 68.2 mt -56.92 -49.48 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 39.5 mt -65.13 -5.92 7.85 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.207 1.403 . . . . 0.0 112.86 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -109.21 -34.67 6.51 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 117.504 -1.236 . . . . 0.0 113.614 -178.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -98.23 -8.4 27.42 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.288 0.949 . . . . 0.0 112.273 -179.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -123.84 -58.34 1.58 Allowed 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 123.809 0.844 . . . . 0.0 109.558 178.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 3.4 t -74.1 -21.19 60.0 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.51 179.44 34.59 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 125.353 1.454 . . . . 0.0 109.994 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -68.78 166.41 26.33 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.331 2.021 . . . . 0.0 110.746 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.03 65.74 1.57 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-O 122.761 1.267 . . . . 0.0 109.426 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 35.2 t -149.85 106.38 3.51 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.927 0 CA-C-O 117.476 -1.735 . . . . 0.0 109.599 179.545 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.914 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.8 m -134.35 164.93 26.3 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.261 1.424 . . . . 0.0 107.79 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.4 p -144.8 -71.69 0.27 Allowed 'General case' 0 C--O 1.236 0.359 0 O-C-N 120.963 -1.085 . . . . 0.0 111.423 -179.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.27 -173.16 24.49 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 125.433 1.492 . . . . 0.0 110.385 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.5 m -63.21 154.29 31.85 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.617 0.767 . . . . 0.0 110.027 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 m -75.12 -7.26 53.27 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 116.939 2.2 . . . . 0.0 116.939 -178.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.5 -34.71 1.95 Allowed Glycine 0 CA--C 1.525 0.701 0 CA-C-N 120.424 1.465 . . . . 0.0 114.578 178.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -133.42 120.39 20.85 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 118.705 1.253 . . . . 0.0 108.037 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 mp -55.42 -22.27 19.44 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 124.96 1.304 . . . . 0.0 113.993 -179.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.5 m -55.93 -38.07 69.79 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.94 0.896 . . . . 0.0 110.058 178.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.6 p -69.05 -37.52 78.59 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 121.808 -0.558 . . . . 0.0 110.539 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -65.98 -28.95 69.28 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.432 0.693 . . . . 0.0 109.596 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 78.5 mt -67.87 -49.76 66.03 Favored 'Isoleucine or valine' 0 C--N 1.338 0.099 0 N-CA-C 106.056 -1.831 . . . . 0.0 106.056 177.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -62.9 -28.01 69.76 Favored 'General case' 0 C--O 1.236 0.355 0 O-C-N 121.999 -0.438 . . . . 0.0 111.347 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -67.87 -44.51 76.91 Favored 'General case' 0 C--N 1.34 0.176 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 178.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.8 mt -65.63 -32.77 74.52 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-O 118.129 -0.938 . . . . 0.0 110.254 178.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 63.3 mtt -58.69 -45.96 88.32 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 106.591 -1.633 . . . . 0.0 106.591 177.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.9 t -62.82 -25.69 68.38 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.344 0.658 . . . . 0.0 111.614 179.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -71.86 -8.7 55.88 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 120.031 1.287 . . . . 0.0 109.542 177.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.75 11.13 25.44 Favored Glycine 0 CA--C 1.53 0.991 0 CA-C-O 117.83 -1.539 . . . . 0.0 116.149 178.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -95.08 167.2 11.53 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.367 1.583 . . . . 0.0 112.325 -179.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.2 m -95.23 151.93 18.81 Favored 'General case' 0 C--O 1.232 0.163 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 178.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -57.0 -39.57 74.92 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.303 0.641 . . . . 0.0 112.422 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -57.28 -51.65 68.53 Favored 'General case' 0 N--CA 1.461 0.112 0 C-N-CA 125.263 1.425 . . . . 0.0 111.904 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -59.22 -41.69 89.24 Favored 'General case' 0 CA--C 1.517 -0.295 0 C-N-CA 123.837 0.855 . . . . 0.0 109.119 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.0 mt -64.06 -50.02 78.94 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -58.99 -42.12 89.27 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 119.991 1.268 . . . . 0.0 110.95 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -63.81 -41.14 97.95 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 120.676 -1.265 . . . . 0.0 109.628 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.91 -38.37 86.1 Favored 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 121.544 -0.722 . . . . 0.0 110.313 179.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -55.85 29.65 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.364 1.066 . . . . 0.0 111.603 -179.197 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -58.17 -45.08 88.8 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 123.279 0.631 . . . . 0.0 111.864 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.1 mt -69.5 -25.39 28.83 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 CA-C-N 118.513 0.597 . . . . 0.0 110.995 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.5 15.53 12.18 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 120.968 -1.083 . . . . 0.0 111.514 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.4 m170 53.61 39.21 29.83 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.827 1.194 . . . . 0.0 110.011 -178.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.8 m120 62.77 13.21 6.27 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.273 1.829 . . . . 0.0 112.34 -178.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -78.29 101.42 7.15 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 104.016 -2.587 . . . . 0.0 104.016 177.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.401 HG13 ' HE3' ' A' ' 41' ' ' LYS . 7.6 tp -54.26 -41.79 53.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 124.656 1.182 . . . . 0.0 114.082 -178.414 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -69.55 -37.61 77.12 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 123.75 0.82 . . . . 0.0 111.348 -178.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 13.3 ttt -65.47 -47.57 75.62 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 178.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.04 -43.29 95.43 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.401 ' HE3' HG13 ' A' ' 37' ' ' ILE . 86.1 mttt -57.12 -43.62 82.52 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.588 0.755 . . . . 0.0 109.808 178.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -58.25 -43.88 88.04 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 118.864 -0.589 . . . . 0.0 110.174 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 17.6 mt -63.14 -49.84 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 88.9 mt -70.73 18.61 0.06 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.316 1.446 . . . . 0.0 113.906 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 39.6 ttp180 -140.59 -0.5 1.55 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.354 1.862 . . . . 0.0 110.504 178.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -131.08 -14.49 3.43 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.88 1.672 . . . . 0.0 111.76 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -123.26 -67.53 0.94 Allowed 'General case' 0 C--O 1.233 0.188 0 C-N-CA 126.008 1.723 . . . . 0.0 106.988 178.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.7 t -76.89 150.26 36.02 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 106.11 -1.811 . . . . 0.0 106.11 178.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -143.95 175.35 23.87 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -68.98 163.8 36.22 Favored 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 122.617 2.211 . . . . 0.0 112.322 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 m -153.56 148.47 26.58 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 125.95 1.7 . . . . 0.0 110.003 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.0 p -144.16 170.29 16.24 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 126.978 2.111 . . . . 0.0 107.648 179.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 117.489 -1.728 . . . . 0.0 109.05 -179.883 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.58 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 17.2 m -62.23 157.36 19.65 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 118.436 1.118 . . . . 0.0 109.433 178.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 31.6 p -149.89 0.47 0.47 Allowed 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 -179.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.45 -164.49 23.9 Favored Glycine 0 C--N 1.337 0.63 0 CA-C-N 119.335 0.97 . . . . 0.0 112.003 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 16.5 m -55.05 134.4 49.11 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 126.778 2.031 . . . . 0.0 114.03 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 72.4 m -67.76 -24.64 65.37 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 178.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.44 -59.55 0.4 Allowed Glycine 0 C--N 1.335 0.497 0 N-CA-C 108.362 -1.895 . . . . 0.0 108.362 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -133.57 142.1 48.0 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 124.511 1.125 . . . . 0.0 108.499 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 mp -55.71 -27.97 53.17 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 125.988 1.715 . . . . 0.0 112.706 -178.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.75 -43.73 69.4 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.989 0.813 . . . . 0.0 110.79 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 78.2 p -65.58 -36.55 84.07 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 117.971 0.35 . . . . 0.0 111.242 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -66.73 -32.28 73.47 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.635 -0.665 . . . . 0.0 111.639 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.31 -46.23 97.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -60.69 -33.77 73.36 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 123.163 0.585 . . . . 0.0 111.519 -179.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -68.24 -40.16 82.1 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 178.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 35.1 mt -65.42 -32.79 74.6 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 121.569 -0.707 . . . . 0.0 109.782 178.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 55.0 mtt -60.58 -32.05 71.16 Favored 'General case' 0 C--N 1.343 0.305 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 3.6 t -60.38 -49.09 78.95 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 125.649 1.579 . . . . 0.0 109.892 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -58.73 -33.24 70.0 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.038 0.535 . . . . 0.0 109.562 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 126.89 -2.77 7.42 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 125.221 1.391 . . . . 0.0 114.115 178.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -63.96 135.81 56.81 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 119.191 1.495 . . . . 0.0 110.386 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 17.7 m -74.4 147.24 42.28 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -56.86 -34.56 67.95 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.511 0.724 . . . . 0.0 110.107 179.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -57.09 -55.07 39.54 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.194 0.998 . . . . 0.0 109.396 178.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.49 -50.13 72.68 Favored 'General case' 0 CA--C 1.521 -0.154 0 C-N-CA 124.996 1.319 . . . . 0.0 109.817 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 31.0 mt -57.84 -49.31 81.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 119.515 -0.279 . . . . 0.0 110.55 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -63.92 -43.39 96.04 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 118.894 0.77 . . . . 0.0 112.485 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -63.67 -41.66 98.16 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.17 -46.15 88.49 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 25.4 mt -61.99 -45.14 94.92 Favored 'General case' 0 CA--C 1.522 -0.127 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 -178.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.05 -44.79 97.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 119.225 0.92 . . . . 0.0 110.489 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 69.0 mt -69.23 -35.95 70.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 C-N-CA 123.584 0.753 . . . . 0.0 109.077 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.05 12.56 0.68 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.094 0.958 . . . . 0.0 112.551 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 51.0 m170 53.43 50.05 18.26 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.639 1.576 . . . . 0.0 109.532 -179.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.9 t30 54.92 46.5 24.25 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 127.015 2.126 . . . . 0.0 112.971 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -119.69 107.96 13.87 Favored 'General case' 0 CA--C 1.522 -0.111 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 4.0 tp -63.74 -37.68 80.33 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.243 0 C-N-CA 124.078 0.951 . . . . 0.0 112.235 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -66.84 -49.74 64.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 119.307 0.958 . . . . 0.0 109.449 -178.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 14.6 ttt -59.24 -45.09 92.11 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 107.578 -1.268 . . . . 0.0 107.578 178.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.45 -43.69 98.42 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 178.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -58.16 -35.26 71.3 Favored 'General case' 0 C--N 1.34 0.194 0 CA-C-O 118.112 -0.947 . . . . 0.0 110.24 179.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -63.55 -41.71 98.43 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 118.762 0.71 . . . . 0.0 109.288 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 53.0 mt -62.22 -44.6 99.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 178.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 66.3 mt -76.56 25.46 0.14 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 127.054 2.141 . . . . 0.0 111.683 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 20.1 ttt85 -144.36 0.31 1.02 Allowed 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 125.895 1.678 . . . . 0.0 111.024 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -132.57 -59.96 0.9 Allowed 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 125.455 1.502 . . . . 0.0 107.093 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -79.19 -73.49 0.33 Allowed 'General case' 0 C--O 1.236 0.393 0 C-N-CA 123.772 0.829 . . . . 0.0 108.77 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.44 155.59 36.14 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 178.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -148.06 179.42 24.95 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 109.833 -1.307 . . . . 0.0 109.833 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -75.05 162.24 37.31 Favored 'Trans proline' 0 N--CA 1.446 -1.299 0 C-N-CA 122.313 2.008 . . . . 0.0 111.561 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 2.8 t -152.38 162.22 41.49 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 124.257 1.023 . . . . 0.0 109.144 178.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 4.9 p -155.35 179.13 9.46 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 127.436 2.294 . . . . 0.0 107.901 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 N-CA-C 107.672 -2.171 . . . . 0.0 107.672 -179.959 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.007 0 N-CA-C 110.412 -1.075 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 p -34.24 -63.96 0.26 Allowed 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 127.108 2.163 . . . . 0.0 113.517 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.4 p -99.75 -23.18 15.08 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.254 1.021 . . . . 0.0 112.588 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.63 111.2 1.07 Allowed Glycine 0 C--N 1.334 0.452 0 N-CA-C 107.392 -2.283 . . . . 0.0 107.392 -178.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -148.3 63.51 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -65.27 169.33 5.82 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.168 0.987 . . . . 0.0 109.778 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.64 -18.43 9.27 Favored Glycine 0 CA--C 1.521 0.435 0 C-N-CA 124.329 0.966 . . . . 0.0 113.418 179.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -81.63 139.55 34.93 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 118.851 1.326 . . . . 0.0 107.814 179.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.27 -17.1 21.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 119.421 -0.323 . . . . 0.0 111.247 179.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 m -57.8 -46.3 84.84 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.291 1.436 . . . . 0.0 110.461 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.1 p -58.71 -32.87 69.58 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.389 1.076 . . . . 0.0 112.325 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -71.71 -28.36 63.64 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 123.298 0.639 . . . . 0.0 110.837 -178.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.6 mt -64.9 -47.72 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 178.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -62.03 -35.57 79.0 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.707 0.803 . . . . 0.0 110.73 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.8 mtp85 -65.67 -34.7 78.82 Favored 'General case' 0 C--N 1.345 0.375 0 C-N-CA 119.045 -1.062 . . . . 0.0 108.641 178.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.1 mt -74.27 -35.64 63.77 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 118.793 0.724 . . . . 0.0 109.362 178.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 36.1 mtt -57.33 -41.9 80.85 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 119.162 0.892 . . . . 0.0 109.006 178.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.0 t -55.1 -35.18 64.34 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.89 1.676 . . . . 0.0 111.224 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -69.99 -22.66 63.12 Favored 'General case' 0 CA--C 1.529 0.148 0 O-C-N 121.35 -0.844 . . . . 0.0 112.601 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.21 12.7 14.84 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.959 1.266 . . . . 0.0 110.632 -178.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -79.4 140.17 37.49 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 118.821 1.31 . . . . 0.0 108.918 179.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.4 m -73.93 143.36 45.75 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 122.857 0.463 . . . . 0.0 110.002 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -54.11 -47.54 71.69 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 123.834 0.854 . . . . 0.0 111.627 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -55.22 -47.64 75.03 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.392 1.077 . . . . 0.0 112.298 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -59.38 -50.18 74.94 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 124.082 0.953 . . . . 0.0 108.665 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 27.9 mt -56.65 -46.47 82.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 43.5 mm-40 -58.12 -50.38 73.67 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.309 0.644 . . . . 0.0 110.84 179.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -57.7 -44.57 85.98 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 118.419 0.554 . . . . 0.0 110.336 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.0 -40.37 97.57 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 118.088 0.403 . . . . 0.0 110.806 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 30.7 mt -64.85 -50.98 64.49 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 -178.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.5 p -59.73 -50.38 80.23 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 O-C-N 123.644 0.59 . . . . 0.0 109.768 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.5 mt -62.91 -35.45 71.31 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 C-N-CA 123.965 0.906 . . . . 0.0 110.264 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.35 4.18 7.68 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.295 0.952 . . . . 0.0 112.631 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 13.7 m170 65.27 44.85 3.1 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.018 1.327 . . . . 0.0 109.517 -179.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.0 m120 62.24 23.82 14.13 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 126.088 1.755 . . . . 0.0 113.284 179.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -98.29 107.74 20.27 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 125.417 1.487 . . . . 0.0 107.422 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.402 HG13 ' HE3' ' A' ' 41' ' ' LYS . 8.6 tp -60.41 -44.42 96.09 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 -178.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -59.84 -54.37 46.97 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 124.044 0.937 . . . . 0.0 109.189 -178.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.4 ttt -56.64 -42.67 79.26 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.444 1.097 . . . . 0.0 109.231 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.7 -39.66 88.16 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.31 0.644 . . . . 0.0 110.899 178.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.402 ' HE3' HG13 ' A' ' 37' ' ' ILE . 83.5 mttt -59.85 -39.39 85.02 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 121.205 -0.934 . . . . 0.0 109.945 179.404 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -60.28 -49.17 78.68 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 179.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 63.1 mt -53.86 -50.37 52.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.8 mt -62.95 -23.71 67.54 Favored 'General case' 0 C--O 1.226 -0.147 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 -179.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -95.43 -42.17 8.61 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 120.255 1.389 . . . . 0.0 112.046 -179.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -73.92 -38.89 64.17 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 118.464 -0.779 . . . . 0.0 112.202 -178.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -99.33 -67.48 0.85 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 119.802 1.183 . . . . 0.0 111.428 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.4 t -73.34 -171.79 1.03 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.776 1.231 . . . . 0.0 108.894 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -170.29 159.39 31.79 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 107.673 -2.171 . . . . 0.0 107.673 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -72.78 134.19 21.47 Favored 'Trans proline' 0 N--CA 1.449 -1.107 0 N-CA-C 107.828 -1.643 . . . . 0.0 107.828 178.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.3 p -77.11 -0.05 23.39 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.262 0.625 . . . . 0.0 112.596 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 92.4 p -156.19 -159.69 0.92 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.071 1.748 . . . . 0.0 108.296 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.803 0 N-CA-C 107.957 -2.057 . . . . 0.0 107.957 178.957 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.7 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 4.8 p -53.75 -52.12 61.18 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.194 0.997 . . . . 0.0 110.106 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 10.0 p -101.3 -78.18 0.53 Allowed 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 178.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.49 129.93 2.48 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 108.678 -1.769 . . . . 0.0 108.678 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 15.3 m -156.35 120.96 4.56 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 117.787 0.793 . . . . 0.0 109.496 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 69.2 m -135.97 161.17 36.4 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 125.592 1.557 . . . . 0.0 107.778 178.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.04 17.23 16.75 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 -178.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -116.36 138.69 51.13 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 105.002 -2.221 . . . . 0.0 105.002 178.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 8.7 mp -105.55 -24.15 12.65 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 123.622 0.769 . . . . 0.0 112.329 -178.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 15.9 m -59.36 -43.48 92.81 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 124.18 0.992 . . . . 0.0 111.669 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 4.8 p -63.19 -23.07 67.26 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.223 1.009 . . . . 0.0 111.47 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -81.24 -25.83 36.33 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 124.732 1.213 . . . . 0.0 110.513 -178.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 61.6 mt -62.97 -45.45 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 178.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -60.78 -27.67 68.17 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.839 1.256 . . . . 0.0 111.018 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 52.2 mtp85 -77.32 -41.54 40.18 Favored 'General case' 0 C--N 1.34 0.183 0 O-C-N 121.287 -0.883 . . . . 0.0 108.823 178.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 7.1 mt -62.9 -37.15 85.81 Favored 'General case' 0 C--O 1.227 -0.095 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 178.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 40.3 mtt -57.98 -31.43 66.9 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 121.734 -0.604 . . . . 0.0 111.168 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 3.8 t -60.04 -20.5 58.29 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.382 1.073 . . . . 0.0 111.341 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -90.35 -9.21 48.57 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 119.574 1.079 . . . . 0.0 111.531 178.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.67 35.75 6.75 Favored Glycine 0 CA--C 1.529 0.95 0 CA-C-N 120.058 1.299 . . . . 0.0 111.803 -179.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -101.33 137.53 39.55 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 118.501 1.15 . . . . 0.0 110.068 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 67.3 m -67.61 148.68 51.08 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.371 0.605 . . . . 0.0 110.904 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -60.6 -38.99 86.49 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 123.846 0.858 . . . . 0.0 110.478 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -57.56 -57.98 10.29 Favored 'General case' 0 N--CA 1.452 -0.37 0 O-C-N 124.059 0.849 . . . . 0.0 109.489 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -51.97 -50.0 62.14 Favored 'General case' 0 C--N 1.334 -0.07 0 C-N-CA 124.775 1.23 . . . . 0.0 109.777 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 52.3 mt -56.24 -50.58 70.45 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 CA-C-O 118.652 -0.69 . . . . 0.0 110.163 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -60.21 -49.81 76.13 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.951 0.796 . . . . 0.0 110.665 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -54.56 -45.14 73.45 Favored 'General case' 0 N--CA 1.46 0.067 0 C-N-CA 124.522 1.129 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.6 -38.29 89.06 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 118.529 0.604 . . . . 0.0 110.433 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 18.5 mt -63.54 -54.27 38.79 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-O 118.572 -0.728 . . . . 0.0 111.733 -179.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 12.7 p -57.17 -42.72 80.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 118.548 0.613 . . . . 0.0 111.632 -178.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 84.5 mt -71.18 -27.81 30.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 O-C-N 121.914 -0.491 . . . . 0.0 110.385 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.8 11.6 15.07 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.017 -1.052 . . . . 0.0 111.121 178.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 14.7 m170 56.7 40.68 29.07 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-O 122.377 1.084 . . . . 0.0 108.278 -177.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . 0.284 10.5 m-20 66.63 8.51 5.93 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 129.63 3.172 . . . . 0.0 113.523 -179.083 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -70.05 109.46 4.57 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 178.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 8.3 tp -63.38 -42.89 97.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 124.089 0.956 . . . . 0.0 112.056 -178.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -59.47 -50.09 75.28 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.207 1.003 . . . . 0.0 110.52 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 19.8 ttt -62.05 -49.22 76.85 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 125.576 1.55 . . . . 0.0 108.873 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.66 -43.08 80.02 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.677 0.791 . . . . 0.0 110.989 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 26.8 mttm -58.62 -39.42 80.41 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 118.711 -0.661 . . . . 0.0 111.019 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 46.3 m-20 -64.51 -40.5 95.76 Favored 'General case' 0 CA--C 1.528 0.112 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 68.6 mt -57.94 -48.32 84.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 178.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 40.9 mt -66.74 -7.42 20.93 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -109.83 -33.93 6.59 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 120.37 1.441 . . . . 0.0 111.328 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.58 -21.73 22.71 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 117.981 -1.009 . . . . 0.0 112.585 -178.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -114.56 -76.28 0.58 Allowed 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 119.545 1.066 . . . . 0.0 108.126 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 14.8 m -70.3 170.38 11.89 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 179.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -144.25 165.27 27.46 Favored Glycine 0 CA--C 1.529 0.916 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -76.22 123.7 7.37 Favored 'Trans proline' 0 N--CA 1.452 -0.954 0 C-N-CA 123.632 2.888 . . . . 0.0 108.387 178.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 11.6 p -77.8 -7.0 56.0 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.408 -0.807 . . . . 0.0 112.917 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 47.8 p -141.98 161.93 36.74 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 119.78 1.173 . . . . 0.0 112.205 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.927 0 CA-C-O 117.886 -1.508 . . . . 0.0 111.091 179.399 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.644 0 N-CA-C 108.636 -1.786 . . . . 0.0 108.636 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.3 p -138.0 174.47 10.53 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.244 1.017 . . . . 0.0 110.366 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -146.95 173.34 12.51 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 127.074 2.149 . . . . 0.0 107.824 178.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.64 -17.4 5.17 Favored Glycine 0 CA--C 1.53 1.027 0 C-N-CA 124.716 1.15 . . . . 0.0 110.313 178.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -171.82 145.5 1.93 Allowed 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 127.405 2.282 . . . . 0.0 106.166 179.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.9 m -150.76 176.18 11.29 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 126.027 1.731 . . . . 0.0 108.277 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.16 -89.16 0.54 Allowed Glycine 0 C--N 1.336 0.577 0 O-C-N 121.268 -0.895 . . . . 0.0 115.199 178.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -78.41 85.5 4.52 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 105.124 -2.176 . . . . 0.0 105.124 179.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.66 -30.16 30.27 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 126.488 1.915 . . . . 0.0 113.902 -178.329 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.5 m -54.91 -40.43 69.84 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 124.521 1.129 . . . . 0.0 111.088 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.8 m -67.91 -24.26 65.19 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.378 0.671 . . . . 0.0 112.289 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -80.79 -28.7 36.25 Favored 'General case' 0 N--CA 1.457 -0.104 0 O-C-N 121.674 -0.641 . . . . 0.0 110.747 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.7 mt -57.06 -47.5 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -61.99 -22.57 65.79 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 122.938 0.495 . . . . 0.0 112.006 -179.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 53.4 mtp180 -79.6 -32.6 41.91 Favored 'General case' 0 C--O 1.232 0.156 0 O-C-N 120.823 -1.173 . . . . 0.0 109.326 178.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.77 -39.0 87.7 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 177.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 58.9 mtt -54.06 -32.62 55.18 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 123.332 0.653 . . . . 0.0 112.61 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.8 m -60.99 -23.38 65.34 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.419 0.687 . . . . 0.0 111.013 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -94.99 5.12 52.84 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 126.003 1.721 . . . . 0.0 111.863 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.98 -9.01 73.23 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 124.729 1.157 . . . . 0.0 115.344 178.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -63.72 129.44 40.15 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 119.087 1.443 . . . . 0.0 109.375 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.6 m -78.39 165.45 23.79 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 108.677 -0.861 . . . . 0.0 108.677 178.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -57.92 -42.52 84.95 Favored 'General case' 0 N--CA 1.462 0.143 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -52.14 -47.87 65.18 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.869 0.868 . . . . 0.0 111.955 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -63.68 -52.54 60.19 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 125.316 1.446 . . . . 0.0 110.475 -179.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.9 mt -55.38 -49.47 72.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 124.179 0.991 . . . . 0.0 110.257 -178.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -61.25 -50.14 74.27 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 118.455 -0.783 . . . . 0.0 109.592 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -53.34 -43.08 67.39 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 120.197 1.362 . . . . 0.0 111.711 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.8 -46.19 83.07 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 123.02 0.528 . . . . 0.0 109.734 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 29.0 mt -59.81 -47.95 83.65 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 123.738 0.815 . . . . 0.0 110.546 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 52.3 t -52.94 -56.69 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 125.259 1.424 . . . . 0.0 109.428 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 39.8 mt -64.87 -32.41 58.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 122.962 0.505 . . . . 0.0 111.589 -178.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.39 8.27 6.49 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 119.093 0.86 . . . . 0.0 111.559 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.2 m170 58.56 40.28 23.88 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.46 1.504 . . . . 0.0 108.484 -178.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.8 m120 69.92 10.58 7.51 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 129.077 2.951 . . . . 0.0 113.711 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -76.45 108.6 9.53 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 178.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 9.7 tp -61.46 -42.21 93.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 -178.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -61.79 -44.75 96.25 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 124.741 1.216 . . . . 0.0 109.633 -178.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 13.4 ttt -67.35 -46.67 72.71 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 125.146 1.378 . . . . 0.0 108.841 179.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.92 97.61 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.32 0.648 . . . . 0.0 110.519 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.9 mttm -59.12 -39.99 84.03 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -63.88 -41.6 97.7 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 118.959 0.799 . . . . 0.0 110.564 178.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 71.6 mt -57.69 -50.74 76.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-N 119.667 1.121 . . . . 0.0 108.187 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 65.2 mt -63.22 -30.54 71.66 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.471 0.708 . . . . 0.0 111.872 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -72.71 -39.5 66.93 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 118.897 0.772 . . . . 0.0 112.379 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -94.58 -31.25 13.96 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 116.593 2.072 . . . . 0.0 116.593 -177.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -97.25 -56.7 2.46 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 120.002 1.274 . . . . 0.0 109.813 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.5 t -81.96 -178.25 6.92 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 131.88 162.99 10.64 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 126.312 1.911 . . . . 0.0 109.059 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -64.68 100.85 0.35 Allowed 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 123.915 3.077 . . . . 0.0 110.112 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.1 t -144.62 37.72 1.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 126.106 1.763 . . . . 0.0 107.849 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.57 20.54 1.85 Allowed 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.285 -0.884 . . . . 0.0 111.93 -179.063 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.275 0 C-N-CA 126.641 2.067 . . . . 0.0 108.308 -179.507 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.685 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 58.0 p -155.22 172.95 17.33 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 126.863 2.065 . . . . 0.0 107.691 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.4 p -151.82 154.03 35.39 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 124.366 1.066 . . . . 0.0 108.736 178.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.06 -46.16 52.79 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 27.9 t -153.0 166.78 31.34 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 126.101 1.76 . . . . 0.0 107.185 179.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 46.0 m -141.84 149.47 40.34 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 126.469 1.908 . . . . 0.0 106.137 178.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.72 -153.24 23.75 Favored Glycine 0 C--N 1.33 0.202 0 CA-C-N 118.794 0.725 . . . . 0.0 111.587 -179.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.4 117.62 1.47 Allowed 'General case' 0 C--O 1.237 0.438 0 C-N-CA 126.919 2.087 . . . . 0.0 110.493 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 9.0 mp -56.01 -37.2 68.84 Favored 'General case' 0 N--CA 1.461 0.107 0 C-N-CA 123.402 0.681 . . . . 0.0 109.693 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 5.9 m -55.88 -17.62 6.87 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 125.078 1.351 . . . . 0.0 114.349 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 69.0 m -96.93 -24.73 15.7 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.767 1.167 . . . . 0.0 110.303 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -86.21 -31.5 21.7 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.249 1.019 . . . . 0.0 110.743 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 72.4 mt -58.95 -37.82 69.68 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 N-CA-C 107.086 -1.45 . . . . 0.0 107.086 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -64.57 -39.9 94.58 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 121.168 -0.958 . . . . 0.0 109.975 178.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 50.7 mtp180 -64.85 -25.92 68.11 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 121.324 -0.86 . . . . 0.0 109.408 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 20.9 mt -81.54 -43.82 18.21 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.346 1.058 . . . . 0.0 108.862 178.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 28.1 mtt -54.22 -42.5 69.89 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 119.748 1.158 . . . . 0.0 110.595 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 58.2 m -64.89 -2.68 2.75 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 179.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -104.65 0.56 28.61 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 125.734 1.614 . . . . 0.0 111.085 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.54 -5.66 54.81 Favored Glycine 0 C--N 1.335 0.475 0 CA-C-O 119.046 -0.864 . . . . 0.0 113.257 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -75.52 163.28 27.54 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 178.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 42.8 m -125.13 156.73 37.88 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 123.649 0.779 . . . . 0.0 110.091 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -51.9 -35.09 44.18 Favored 'General case' 0 CA--C 1.529 0.16 0 O-C-N 121.656 -0.653 . . . . 0.0 112.22 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -59.66 -57.58 12.33 Favored 'General case' 0 C--O 1.236 0.381 0 O-C-N 121.794 -0.566 . . . . 0.0 111.352 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -67.47 -41.38 84.72 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.769 0.828 . . . . 0.0 110.454 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 80.6 mt -54.58 -53.88 27.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 C-N-CA 123.894 0.878 . . . . 0.0 108.705 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -62.59 -48.91 77.37 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.841 179.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -53.33 -36.79 61.68 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 120.673 1.579 . . . . 0.0 111.709 -179.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.73 -49.22 55.31 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 14.2 mt -54.94 -49.39 71.46 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 124.067 0.947 . . . . 0.0 111.221 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 86.3 t -58.5 -48.22 86.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 124.555 1.142 . . . . 0.0 110.231 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 65.3 mt -69.47 -26.11 30.49 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 O-C-N 121.276 -0.89 . . . . 0.0 110.442 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.84 9.18 19.95 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.591 1.557 . . . . 0.0 111.557 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 32.5 m170 55.67 48.97 17.35 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.331 1.052 . . . . 0.0 109.355 -178.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 7.1 m120 62.19 10.53 3.83 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 128.103 2.561 . . . . 0.0 114.008 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -78.54 102.61 8.0 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 107.324 -1.362 . . . . 0.0 107.324 178.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 7.2 tp -59.98 -39.03 79.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -179.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -65.79 -40.73 92.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.859 0.838 . . . . 0.0 111.045 -178.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 22.1 ttt -68.94 -47.02 66.74 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 179.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.88 -40.31 84.01 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.941 0.896 . . . . 0.0 110.943 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 27.8 mttm -60.95 -38.56 86.29 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 123.614 0.766 . . . . 0.0 109.677 178.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -66.23 -39.49 89.61 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 118.407 -0.806 . . . . 0.0 108.835 178.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 72.3 mt -55.33 -54.1 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 96.3 mt -60.53 -45.12 95.03 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 123.81 0.844 . . . . 0.0 111.718 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 14.7 ttm-85 -66.72 -29.43 69.42 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 120.546 1.521 . . . . 0.0 113.434 -179.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -90.3 -37.01 14.36 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 119.65 1.114 . . . . 0.0 113.81 -179.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -97.77 -67.71 0.83 Allowed 'General case' 0 C--O 1.233 0.227 0 CA-C-N 119.183 0.902 . . . . 0.0 109.682 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 20.6 t -63.86 -178.79 0.34 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.522 1.529 . . . . 0.0 110.613 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 139.48 172.67 12.78 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 125.188 1.375 . . . . 0.0 111.59 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -74.83 91.22 1.02 Allowed 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 123.3 2.667 . . . . 0.0 108.36 179.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 75.1 m -126.21 27.19 6.31 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.929 1.692 . . . . 0.0 110.038 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 7.4 t -156.78 78.06 0.91 Allowed 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 106.665 -1.606 . . . . 0.0 106.665 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.92 0 C-N-CA 125.255 1.407 . . . . 0.0 110.01 -179.366 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.804 0 N-CA-C 108.893 -1.683 . . . . 0.0 108.893 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 m -80.13 113.34 18.24 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 178.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.01 95.98 0.41 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.11 -53.31 3.96 Favored Glycine 0 C--N 1.335 0.528 0 C-N-CA 123.773 0.701 . . . . 0.0 111.641 -179.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.3 p -129.93 159.75 35.7 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.628 0.728 . . . . 0.0 111.226 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.0 m -112.7 23.97 12.93 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 126.901 2.08 . . . . 0.0 110.219 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.67 -8.88 10.57 Favored Glycine 0 CA--C 1.528 0.846 0 C-N-CA 125.059 1.314 . . . . 0.0 112.854 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -65.09 156.42 31.6 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-N 119.154 1.477 . . . . 0.0 109.623 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 mp -132.27 -8.55 3.36 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.53 1.532 . . . . 0.0 110.279 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.4 p -58.23 -47.95 81.91 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 120.447 1.476 . . . . 0.0 109.61 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.59 -24.85 61.81 Favored 'General case' 0 N--CA 1.439 -0.979 0 C-N-CA 129.362 3.065 . . . . 0.0 111.548 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.33 -29.76 26.05 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.612 1.165 . . . . 0.0 110.621 -179.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 53.8 mt -64.72 -52.83 49.46 Favored 'Isoleucine or valine' 0 C--N 1.341 0.236 0 N-CA-C 105.92 -1.881 . . . . 0.0 105.92 178.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -58.8 -35.15 72.37 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.669 0.787 . . . . 0.0 109.66 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -67.43 -39.36 85.43 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 119.137 0.88 . . . . 0.0 110.095 178.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.4 mt -67.61 -33.17 74.45 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 118.491 -0.766 . . . . 0.0 110.653 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.0 mtt -59.61 -33.45 71.5 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 119.042 0.837 . . . . 0.0 111.037 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.9 m -60.91 -24.86 66.32 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.221 0.608 . . . . 0.0 111.832 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -78.57 -20.19 51.11 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.45 -0.781 . . . . 0.0 111.427 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.02 -0.37 27.04 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 125.094 1.33 . . . . 0.0 111.344 -178.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -70.01 127.13 31.77 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 118.675 1.237 . . . . 0.0 108.245 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.3 m -66.99 148.07 52.43 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 122.675 0.39 . . . . 0.0 110.594 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -54.16 -42.7 69.89 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.496 0.718 . . . . 0.0 111.61 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -60.03 -45.26 93.39 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-O 119.14 -0.457 . . . . 0.0 110.814 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -59.2 -50.96 72.01 Favored 'General case' 0 CA--C 1.522 -0.107 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 41.1 mt -57.06 -47.91 82.8 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -58.4 -56.26 24.45 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 118.643 -0.694 . . . . 0.0 109.951 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.5 mtpp -53.3 -45.56 69.01 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 125.043 1.337 . . . . 0.0 110.785 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.18 -44.35 95.13 Favored 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 123.675 0.79 . . . . 0.0 110.27 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 54.1 mt -64.83 -36.02 82.99 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 118.631 -0.699 . . . . 0.0 112.595 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.8 t -63.57 -58.01 9.29 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 179.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 59.1 mt -59.28 -38.41 74.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 125.568 1.547 . . . . 0.0 111.28 -178.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.12 0.7 15.33 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 118.831 0.742 . . . . 0.0 112.193 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 51.8 m170 56.24 57.56 4.9 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 125.342 1.457 . . . . 0.0 109.495 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.2 m120 59.23 18.73 6.83 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 126.631 1.972 . . . . 0.0 113.769 179.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -96.07 101.13 12.75 Favored 'General case' 0 C--O 1.231 0.104 0 O-C-N 121.066 -1.021 . . . . 0.0 108.89 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.8 tp -60.5 -39.18 80.41 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.331 0 C-N-CA 123.337 0.655 . . . . 0.0 111.357 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -64.05 -37.92 89.2 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 119.227 0.922 . . . . 0.0 110.501 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 8.9 ttt -72.85 -49.6 29.18 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 178.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.85 -36.91 75.37 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.831 0.853 . . . . 0.0 111.148 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 43.5 mttt -57.17 -48.36 78.93 Favored 'General case' 0 CA--C 1.517 -0.3 0 C-N-CA 124.741 1.216 . . . . 0.0 108.058 178.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -59.17 -42.65 91.28 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-O 118.922 -0.561 . . . . 0.0 109.713 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 58.1 mt -57.51 -54.51 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 118.88 0.764 . . . . 0.0 109.154 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.4 mt -58.44 -44.8 89.31 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 122.767 0.427 . . . . 0.0 110.679 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -63.76 -19.03 64.65 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 126.15 1.78 . . . . 0.0 112.556 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -112.26 -27.38 8.35 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 114.946 1.462 . . . . 0.0 114.946 -178.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -109.96 -61.61 1.63 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.077 1.351 . . . . 0.0 113.285 -179.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.5 m -70.15 12.63 0.21 Allowed 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 -178.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -142.62 -158.62 7.61 Favored Glycine 0 CA--C 1.532 1.155 0 C-N-CA 125.651 1.596 . . . . 0.0 110.628 -179.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -71.44 -178.92 3.24 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 123.514 2.809 . . . . 0.0 111.875 -179.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.3 t -117.18 9.44 13.52 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.077 1.351 . . . . 0.0 110.62 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.0 p -138.87 101.86 4.41 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 124.773 1.229 . . . . 0.0 109.157 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.207 0 N-CA-C 107.55 -2.22 . . . . 0.0 107.55 -179.502 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.653 0 N-CA-C 107.625 -2.19 . . . . 0.0 107.625 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 16.6 m -126.06 93.7 3.89 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 105.45 -2.056 . . . . 0.0 105.45 179.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 15.6 m -69.97 173.14 6.78 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.798 0.839 . . . . 0.0 110.947 -179.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.44 -66.32 0.07 OUTLIER Glycine 0 CA--C 1.519 0.299 0 N-CA-C 107.552 -2.219 . . . . 0.0 107.552 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 1.6 p -70.28 86.6 0.59 Allowed 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.435 1.494 . . . . 0.0 109.783 179.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 15.4 m -81.42 56.5 2.95 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 122.189 0.995 . . . . 0.0 110.459 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.23 79.15 0.08 OUTLIER Glycine 0 N--CA 1.443 -0.843 0 N-CA-C 105.223 -3.151 . . . . 0.0 105.223 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -140.18 158.11 44.56 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 125.229 1.412 . . . . 0.0 108.502 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 mp -119.63 -18.75 8.31 Favored 'General case' 0 C--O 1.226 -0.139 0 C-N-CA 124.883 1.273 . . . . 0.0 111.729 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 1.2 p -51.57 -60.39 3.21 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 126.164 1.786 . . . . 0.0 111.096 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.16 -35.2 78.07 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 125.057 1.343 . . . . 0.0 111.022 179.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -34.01 77.35 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 117.725 -1.131 . . . . 0.0 111.17 -178.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 39.4 mt -63.28 -46.29 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 N-CA-C 107.028 -1.471 . . . . 0.0 107.028 178.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -59.68 -35.73 75.05 Favored 'General case' 0 C--O 1.24 0.574 0 C-N-CA 123.911 0.884 . . . . 0.0 110.893 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 -68.14 -34.11 75.74 Favored 'General case' 0 N--CA 1.456 -0.161 0 O-C-N 121.681 -0.637 . . . . 0.0 109.726 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 42.8 mt -78.31 -37.25 45.11 Favored 'General case' 0 CA--C 1.523 -0.069 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 178.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 37.5 mtt -56.4 -39.98 73.89 Favored 'General case' 0 C--N 1.337 0.065 0 CA-C-N 119.006 0.821 . . . . 0.0 109.526 178.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 56.6 m -61.33 -18.52 58.99 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.434 0.902 . . . . 0.0 113.434 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -81.95 -32.65 30.66 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 119.591 1.087 . . . . 0.0 109.096 178.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.36 -0.16 6.4 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 125.657 1.599 . . . . 0.0 112.83 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -70.69 125.25 26.29 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 118.779 1.289 . . . . 0.0 107.702 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.7 m -65.9 156.71 32.63 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 122.956 0.502 . . . . 0.0 111.183 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -53.04 -49.0 67.19 Favored 'General case' 0 N--CA 1.458 -0.049 0 C-N-CA 123.756 0.822 . . . . 0.0 111.366 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -57.94 -45.11 87.1 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 123.527 0.731 . . . . 0.0 111.657 -179.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -64.52 -45.9 85.21 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 54.1 mt -57.63 -55.55 20.68 Favored 'Isoleucine or valine' 0 C--N 1.341 0.237 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -51.9 -53.96 34.84 Favored 'General case' 0 C--O 1.219 -0.505 0 C-N-CA 124.833 1.253 . . . . 0.0 110.82 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -54.68 -41.58 70.37 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 120.353 1.433 . . . . 0.0 110.143 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.25 -42.74 93.0 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 178.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 50.7 mt -67.88 2.19 2.15 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.105 1.362 . . . . 0.0 113.198 178.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 89.4 t -112.91 -18.67 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 126.454 1.902 . . . . 0.0 110.447 177.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 36.1 mt -102.86 -33.95 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 O-C-N 121.071 -1.018 . . . . 0.0 113.3 -178.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.89 11.4 7.73 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.801 1.641 . . . . 0.0 111.922 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 9.3 m170 52.07 50.91 17.49 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.957 1.703 . . . . 0.0 110.784 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 5.9 m120 59.69 11.38 2.4 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 130.058 3.343 . . . . 0.0 112.015 -179.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -76.82 97.59 4.58 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 106.168 -1.79 . . . . 0.0 106.168 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 5.6 tp -53.68 -42.05 49.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 124.332 1.053 . . . . 0.0 111.186 -178.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -62.8 -39.84 95.51 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 121.351 -0.843 . . . . 0.0 112.285 -178.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 6.5 ttt -70.76 -46.02 63.71 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.85 -39.51 85.44 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.288 0.494 . . . . 0.0 110.95 179.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -55.95 -43.49 77.51 Favored 'General case' 0 N--CA 1.461 0.109 0 C-N-CA 124.268 1.027 . . . . 0.0 109.065 178.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -65.03 -39.21 93.03 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 118.665 -0.683 . . . . 0.0 110.499 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 49.9 mt -59.82 -60.87 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 CA-C-N 119.193 0.906 . . . . 0.0 108.845 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 62.5 mt -51.7 -47.85 63.77 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.426 1.491 . . . . 0.0 112.041 -178.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -58.87 -25.17 63.08 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -103.7 -55.85 2.31 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 118.872 0.76 . . . . 0.0 111.207 -179.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -74.09 -21.17 60.02 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 -178.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -122.24 17.73 10.69 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.931 1.692 . . . . 0.0 109.286 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -133.74 177.77 18.81 Favored Glycine 0 CA--C 1.527 0.837 0 C-N-CA 125.594 1.569 . . . . 0.0 109.947 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -76.03 172.82 15.57 Favored 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 122.935 2.423 . . . . 0.0 110.025 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 67.6 m -83.95 -62.93 1.44 Allowed 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 105.296 -2.113 . . . . 0.0 105.296 177.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 11.9 p -61.62 120.13 10.0 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.277 0 N-CA-C 109.179 -1.568 . . . . 0.0 109.179 -179.729 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.776 0 CA-C-O 121.799 0.666 . . . . 0.0 112.972 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.6 p -163.57 173.2 13.32 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 125.694 1.598 . . . . 0.0 107.712 178.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 p -72.1 84.41 1.01 Allowed 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.83 117.2 4.36 Favored Glycine 0 C--N 1.33 0.237 0 N-CA-C 108.152 -1.979 . . . . 0.0 108.152 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -107.82 178.56 4.49 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 118.361 1.08 . . . . 0.0 108.804 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.1 p -147.3 168.36 21.95 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -178.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.28 2.1 77.7 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 118.001 1.96 . . . . 0.0 118.001 178.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -145.78 89.77 1.93 Allowed 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 121.462 2.631 . . . . 0.0 108.252 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.78 -20.04 65.16 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -178.639 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.0 p -60.76 -27.57 68.06 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.873 1.215 . . . . 0.0 111.17 178.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.6 m -76.52 -25.7 54.44 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.291 0.636 . . . . 0.0 110.313 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -80.49 -26.82 37.99 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 123.756 0.823 . . . . 0.0 111.21 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.6 mt -57.96 -41.36 80.01 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 178.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -57.58 -41.03 80.3 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 125.294 1.438 . . . . 0.0 111.471 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -68.55 -37.89 80.33 Favored 'General case' 0 C--N 1.341 0.215 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.0 mt -68.04 -35.57 78.48 Favored 'General case' 0 C--O 1.228 -0.056 0 C-N-CA 123.825 0.85 . . . . 0.0 110.804 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 46.9 mtt -57.54 -46.13 84.24 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.931 0.787 . . . . 0.0 108.891 178.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.0 t -58.81 -39.11 80.2 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 122.908 0.483 . . . . 0.0 109.807 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -64.85 -8.13 14.04 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.171 -0.956 . . . . 0.0 112.323 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.97 3.33 59.15 Favored Glycine 0 C--N 1.335 0.479 0 CA-C-O 117.516 -1.714 . . . . 0.0 114.38 178.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -78.85 145.92 33.96 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 120.525 2.162 . . . . 0.0 107.439 179.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.7 m -73.87 154.44 39.44 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 121.495 -0.753 . . . . 0.0 110.671 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -60.15 -43.31 95.85 Favored 'General case' 0 C--O 1.232 0.135 0 O-C-N 122.247 -0.283 . . . . 0.0 111.297 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -58.73 -52.58 65.11 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.34 -54.67 37.22 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.957 1.303 . . . . 0.0 109.03 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 70.1 mt -50.58 -50.93 20.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 124.015 0.926 . . . . 0.0 110.781 -179.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -65.38 -50.65 64.71 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.738 0.415 . . . . 0.0 111.142 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -55.44 -34.29 64.35 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 120.969 -1.082 . . . . 0.0 110.718 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.05 -48.74 77.4 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 178.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 79.1 mt -58.62 -46.45 87.02 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.683 0.793 . . . . 0.0 110.809 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.3 t -52.85 -47.32 52.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 124.27 1.028 . . . . 0.0 110.872 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.1 mt -79.98 -23.45 11.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 C-N-CA 124.065 0.946 . . . . 0.0 111.537 -178.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.12 10.23 22.6 Favored 'General case' 0 N--CA 1.448 -0.553 0 O-C-N 121.061 -1.024 . . . . 0.0 110.848 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 17.2 m170 52.84 46.95 25.74 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.476 1.111 . . . . 0.0 109.212 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 67.06 5.29 4.02 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 128.393 2.677 . . . . 0.0 113.816 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -73.41 103.79 4.19 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 119.315 0.961 . . . . 0.0 109.71 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.8 tp -61.44 -38.69 80.63 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.242 0 C-N-CA 123.642 0.777 . . . . 0.0 112.515 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -67.11 -42.84 83.84 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 123.857 0.863 . . . . 0.0 111.231 -178.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 9.9 ttt -64.84 -50.6 66.03 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 106.689 -1.597 . . . . 0.0 106.689 178.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.3 -41.14 79.29 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.227 1.011 . . . . 0.0 111.256 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.4 mttm -57.33 -41.49 80.08 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 123.849 0.86 . . . . 0.0 109.73 178.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -64.97 -42.66 94.38 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 58.8 mt -57.92 -55.75 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.4 mt -56.84 -36.14 69.64 Favored 'General case' 0 C--O 1.226 -0.183 0 C-N-CA 123.53 0.732 . . . . 0.0 112.516 -179.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -74.92 -29.26 60.92 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -102.42 -23.95 13.89 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 -178.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -102.49 -69.85 0.77 Allowed 'General case' 0 C--O 1.235 0.301 0 C-N-CA 124.497 1.119 . . . . 0.0 108.68 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.2 m -69.51 -177.79 1.27 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.626 0.771 . . . . 0.0 109.028 178.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -150.2 169.85 30.2 Favored Glycine 0 CA--C 1.525 0.695 0 O-C-N 120.638 -1.289 . . . . 0.0 111.721 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -73.97 98.93 1.12 Allowed 'Trans proline' 0 N--CA 1.45 -1.067 0 C-N-CA 122.81 2.34 . . . . 0.0 109.602 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 90.6 p -58.35 -30.46 66.77 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.388 -0.82 . . . . 0.0 110.248 179.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.7 p -138.32 156.84 47.26 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 127.636 2.374 . . . . 0.0 106.762 178.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.766 0 N-CA-C 106.129 -2.788 . . . . 0.0 106.129 179.445 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.531 0 N-CA-C 109.702 -1.359 . . . . 0.0 109.702 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 11.8 p -163.04 177.81 8.85 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 124.852 1.261 . . . . 0.0 108.9 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.1 113.85 5.39 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 179.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.02 169.71 25.58 Favored Glycine 0 CA--C 1.52 0.403 0 N-CA-C 109.951 -1.26 . . . . 0.0 109.951 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 55.1 m -144.93 172.07 13.56 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 124.298 1.039 . . . . 0.0 110.866 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 25.1 p -129.81 138.47 51.04 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 126.407 1.883 . . . . 0.0 106.077 178.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.11 -20.12 5.68 Favored Glycine 0 CA--C 1.526 0.733 0 CA-C-O 119.495 -0.614 . . . . 0.0 114.247 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -143.44 138.05 29.03 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 118.308 1.054 . . . . 0.0 108.473 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 2.7 mp -102.52 -21.73 14.15 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 117.61 -1.186 . . . . 0.0 114.196 -179.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 13.8 p -56.65 -39.46 73.75 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 120.156 1.343 . . . . 0.0 111.028 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -54.85 -32.21 60.42 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.762 1.625 . . . . 0.0 112.351 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -85.69 -24.92 26.8 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 121.507 -0.746 . . . . 0.0 110.093 179.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 42.3 mt -65.31 -42.27 93.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 N-CA-C 105.896 -1.891 . . . . 0.0 105.896 178.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -58.57 -36.14 73.48 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.481 0.712 . . . . 0.0 110.104 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -72.34 -40.93 67.01 Favored 'General case' 0 C--N 1.34 0.164 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 68.5 mt -65.88 -36.43 83.39 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 53.2 mtt -60.87 -39.14 88.07 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 177.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.89 -38.08 81.24 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.9 0.88 . . . . 0.0 109.573 178.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -69.95 -6.41 32.91 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.957 0.799 . . . . 0.0 111.255 178.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.34 -4.69 67.27 Favored Glycine 0 CA--C 1.522 0.482 0 C-N-CA 125.646 1.594 . . . . 0.0 114.645 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -61.9 145.28 53.27 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 118.96 1.38 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 64.0 m -78.23 144.64 36.05 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 178.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -55.84 -40.82 73.36 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 124.652 1.181 . . . . 0.0 110.963 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -60.04 -54.57 44.42 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -57.94 -42.95 85.95 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 119.124 0.875 . . . . 0.0 110.386 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 64.1 mt -59.0 -54.44 34.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-N 118.983 0.811 . . . . 0.0 109.418 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -62.2 -49.55 75.32 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.77 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -53.81 -39.35 65.44 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 120.634 1.561 . . . . 0.0 110.077 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.14 -50.52 63.71 Favored 'General case' 0 C--O 1.223 -0.331 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 41.1 mt -60.51 -28.7 68.59 Favored 'General case' 0 C--O 1.231 0.084 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 43.2 t -70.97 -58.35 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 179.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 47.7 mt -64.28 -29.65 47.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 124.433 1.093 . . . . 0.0 110.93 -178.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.0 1.48 23.75 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.221 -0.924 . . . . 0.0 110.612 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 22.9 m170 56.36 59.35 3.69 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 126.731 2.012 . . . . 0.0 108.775 -179.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 14.9 m120 59.49 16.35 5.18 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.482 1.913 . . . . 0.0 113.56 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -93.25 103.68 15.92 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 120.532 -1.355 . . . . 0.0 108.704 179.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 6.1 tp -63.37 -37.95 80.87 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.253 0 C-N-CA 124.411 1.084 . . . . 0.0 112.546 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -65.95 -45.75 80.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 119.016 0.826 . . . . 0.0 109.999 -178.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 12.1 ttt -64.28 -47.62 78.82 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 125.269 1.428 . . . . 0.0 107.17 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.74 -41.78 96.04 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.751 -0.593 . . . . 0.0 110.938 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -57.36 -35.06 69.46 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 123.698 0.799 . . . . 0.0 109.547 178.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -69.71 -41.13 75.76 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-O 118.406 -0.806 . . . . 0.0 109.588 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 51.7 mt -59.47 -48.58 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 N-CA-C 105.722 -1.955 . . . . 0.0 105.722 178.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 96.7 mt -66.87 2.37 1.45 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.392 1.077 . . . . 0.0 112.728 178.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 20.7 ttt85 -121.03 -2.52 9.68 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 120.079 1.309 . . . . 0.0 112.389 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -137.99 4.39 2.5 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.984 1.314 . . . . 0.0 111.739 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -134.75 -69.3 0.52 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.69 1.596 . . . . 0.0 109.784 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 72.8 m -73.96 -119.49 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.429 1.092 . . . . 0.0 108.59 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 130.9 168.91 12.33 Favored Glycine 0 CA--C 1.524 0.599 0 O-C-N 120.087 -1.633 . . . . 0.0 110.583 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -68.99 166.38 26.83 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 122.75 2.3 . . . . 0.0 108.138 178.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 84.7 p -126.69 -20.7 4.25 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 81.0 p -138.56 -155.59 0.61 Allowed 'General case' 0 C--O 1.242 0.687 0 C-N-CA 124.429 1.092 . . . . 0.0 110.142 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 N-CA-C 106.467 -2.653 . . . . 0.0 106.467 -178.97 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.74 0 N-CA-C 111.766 -0.533 . . . . 0.0 111.766 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 t -159.12 159.3 34.34 Favored 'General case' 0 C--O 1.24 0.567 0 C-N-CA 123.744 0.818 . . . . 0.0 109.832 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.3 p -169.71 149.43 3.82 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 126.082 1.753 . . . . 0.0 108.66 177.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.89 98.97 0.2 Allowed Glycine 0 CA--C 1.52 0.355 0 N-CA-C 108.54 -1.824 . . . . 0.0 108.54 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 m -77.59 143.61 38.16 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.689 0.796 . . . . 0.0 112.454 -179.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 p -164.47 165.34 21.46 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.342 1.457 . . . . 0.0 109.41 179.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.74 -154.02 46.46 Favored Glycine 0 CA--C 1.526 0.744 0 O-C-N 120.841 -1.162 . . . . 0.0 112.597 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -94.12 117.26 29.86 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 124.512 1.125 . . . . 0.0 109.466 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.5 tt -52.6 -35.42 54.32 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.213 1.005 . . . . 0.0 112.958 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 72.4 m -54.3 -22.89 13.12 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.994 1.27 . . . . 0.0 113.129 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.1 m -71.67 -32.35 67.77 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.761 1.224 . . . . 0.0 110.726 179.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -71.56 -29.3 64.58 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.137 1.375 . . . . 0.0 110.47 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.0 mt -59.88 -45.25 95.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 178.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -63.41 -34.14 77.09 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.094 0.958 . . . . 0.0 110.509 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -72.1 -31.7 66.3 Favored 'General case' 0 C--N 1.346 0.418 0 CA-C-N 118.664 0.665 . . . . 0.0 109.439 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.3 mt -71.32 -39.26 71.5 Favored 'General case' 0 C--O 1.227 -0.099 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 178.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.7 mtt -56.07 -34.59 66.1 Favored 'General case' 0 CA--C 1.53 0.2 0 O-C-N 121.953 -0.467 . . . . 0.0 111.673 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.1 m -68.82 -12.25 61.32 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -99.54 -1.18 38.97 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.52 1.528 . . . . 0.0 112.285 -178.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.5 14.17 35.98 Favored Glycine 0 C--N 1.34 0.781 0 CA-C-O 118.83 -0.983 . . . . 0.0 114.21 179.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -96.7 124.18 40.6 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 118.704 1.252 . . . . 0.0 110.748 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.7 m -70.17 152.82 43.84 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.915 1.286 . . . . 0.0 112.026 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -52.99 -43.27 66.31 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.375 0.67 . . . . 0.0 111.982 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -57.62 -56.39 22.5 Favored 'General case' 0 C--O 1.226 -0.152 0 C-N-CA 124.141 0.976 . . . . 0.0 110.258 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -55.96 -43.71 77.78 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 124.729 1.212 . . . . 0.0 110.037 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 65.1 mt -57.59 -50.02 78.65 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 CA-C-N 118.755 0.707 . . . . 0.0 109.71 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -63.85 -38.82 92.51 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.636 0.653 . . . . 0.0 110.197 178.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -63.73 -42.45 97.89 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 120.705 -1.247 . . . . 0.0 109.472 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.76 -38.98 90.55 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.664 -0.647 . . . . 0.0 109.365 178.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.3 mt -63.62 -54.31 37.88 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 123.747 0.819 . . . . 0.0 111.407 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.5 p -56.7 -48.51 80.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 118.717 0.689 . . . . 0.0 110.566 -179.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 76.6 mt -63.31 -29.33 46.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 122.685 0.394 . . . . 0.0 110.308 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.25 15.05 9.59 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.977 0.911 . . . . 0.0 112.017 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.2 m170 55.7 41.29 30.56 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 119.949 1.25 . . . . 0.0 109.946 -178.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 65.51 6.56 3.83 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 128.216 2.606 . . . . 0.0 113.038 -179.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -70.74 100.77 1.95 Allowed 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.26 1.024 . . . . 0.0 108.619 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.41 HG13 ' HE3' ' A' ' 41' ' ' LYS . 4.8 tp -54.84 -46.14 75.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 C-N-CA 123.869 0.867 . . . . 0.0 111.586 -179.296 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -59.82 -45.76 91.36 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 123.057 0.543 . . . . 0.0 111.718 -178.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.8 ttt -65.58 -49.48 68.67 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.917 1.287 . . . . 0.0 107.969 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.14 -38.36 76.4 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.412 0.685 . . . . 0.0 110.776 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.41 ' HE3' HG13 ' A' ' 37' ' ' ILE . 86.9 mttt -60.45 -42.12 95.52 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -63.02 -42.25 99.76 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 118.502 -0.761 . . . . 0.0 109.366 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 68.1 mt -54.83 -58.58 3.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.3 mt -54.51 -36.37 64.15 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 123.799 0.84 . . . . 0.0 112.349 -179.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 43.8 ttt180 -64.85 -34.39 78.27 Favored 'General case' 0 C--O 1.23 0.064 0 N-CA-C 114.309 1.225 . . . . 0.0 114.309 -179.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -100.28 -33.19 10.51 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 118.865 0.757 . . . . 0.0 112.245 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -89.27 -23.67 22.25 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 115.432 1.642 . . . . 0.0 115.432 -177.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.4 t -120.25 -172.84 2.44 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -174.76 167.69 40.01 Favored Glycine 0 N--CA 1.447 -0.611 0 O-C-N 121.226 -0.921 . . . . 0.0 111.284 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.29 98.74 0.4 Allowed 'Trans proline' 0 N--CA 1.445 -1.331 0 C-N-CA 123.697 2.931 . . . . 0.0 107.342 179.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.0 m -64.6 161.1 18.23 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 124.591 1.156 . . . . 0.0 109.386 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.4 t -74.06 174.35 8.77 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.858 0 N-CA-C 105.468 -3.053 . . . . 0.0 105.468 -179.154 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.9 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.1 t -89.66 163.9 14.94 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 178.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 81.2 p -159.78 158.66 31.56 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 126.695 1.998 . . . . 0.0 105.889 178.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.8 175.79 19.16 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 109.787 -1.325 . . . . 0.0 109.787 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -158.89 92.88 1.13 Allowed 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 121.975 -0.721 . . . . 0.0 110.795 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 77.8 p -136.97 151.41 48.98 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 177.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.58 172.03 41.06 Favored Glycine 0 CA--C 1.529 0.947 0 N-CA-C 108.619 -1.792 . . . . 0.0 108.619 -178.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -63.45 135.95 57.26 Favored 'General case' 0 C--O 1.232 0.137 0 O-C-N 121.407 -1.055 . . . . 0.0 109.573 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 7.2 tt -60.39 -31.66 70.57 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 119.169 -0.443 . . . . 0.0 110.099 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 3.3 m -58.12 -38.48 76.59 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 119.1 0.864 . . . . 0.0 111.078 178.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 50.7 m -59.86 -35.18 74.26 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.925 0.784 . . . . 0.0 109.774 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -73.45 -32.62 64.46 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.36 0.664 . . . . 0.0 110.499 179.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 82.1 mt -60.44 -45.09 97.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 CA-C-N 119.757 1.162 . . . . 0.0 109.007 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -60.45 -30.6 69.76 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.249 0.22 . . . . 0.0 111.064 -179.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -68.4 -38.92 81.73 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 121.206 -0.934 . . . . 0.0 109.789 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 20.0 mt -63.01 -30.01 71.27 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 119.057 -0.497 . . . . 0.0 110.551 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 34.7 mtt -63.75 -30.68 71.75 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.26 0.936 . . . . 0.0 110.237 179.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 71.1 m -65.67 -29.19 69.72 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.559 0.618 . . . . 0.0 109.907 178.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -82.91 4.78 24.25 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.834 0.854 . . . . 0.0 111.427 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.74 1.6 85.13 Favored Glycine 0 C--N 1.338 0.662 0 C-N-CA 126.105 1.812 . . . . 0.0 115.082 178.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -72.97 138.72 46.25 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 118.592 1.196 . . . . 0.0 110.571 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 75.7 m -78.3 145.85 35.12 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 124.475 1.11 . . . . 0.0 108.945 179.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -53.48 -41.56 66.34 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.193 0.997 . . . . 0.0 111.615 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -60.45 -47.02 87.93 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 118.6 0.636 . . . . 0.0 110.23 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . 0.514 ' HA ' ' HE3' ' B' ' 28' ' ' LYS . 52.9 m-20 -60.42 -46.16 91.03 Favored 'General case' 0 CA--C 1.521 -0.168 0 C-N-CA 123.862 0.865 . . . . 0.0 108.691 178.514 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 50.3 mt -57.04 -47.7 83.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -62.15 -50.43 71.9 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 117.869 -1.062 . . . . 0.0 111.26 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.514 ' HE3' ' HA ' ' B' ' 25' ' ' ASP . 43.6 mtmt -55.23 -46.48 75.98 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 124.848 1.259 . . . . 0.0 109.717 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.32 -42.43 98.67 Favored 'General case' 0 C--O 1.223 -0.312 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 24.7 mt -65.16 -29.01 69.81 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-O 117.973 -1.013 . . . . 0.0 111.727 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 39.5 t -72.51 -55.63 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.099 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 178.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 55.5 mt -62.84 -24.71 36.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 C-N-CA 124.79 1.236 . . . . 0.0 112.12 -178.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.06 5.58 40.37 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 120.759 -1.213 . . . . 0.0 110.087 178.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 17.2 m170 54.2 58.51 4.92 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.284 1.834 . . . . 0.0 108.138 -178.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 13.8 m120 60.13 6.94 1.07 Allowed 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 128.293 2.637 . . . . 0.0 113.893 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -82.06 104.31 12.32 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 120.66 -1.275 . . . . 0.0 111.353 -179.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 4.6 tp -60.44 -39.54 81.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 123.644 0.778 . . . . 0.0 112.16 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -59.0 -47.77 84.01 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 119.215 0.916 . . . . 0.0 110.744 -179.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 12.0 ttt -66.33 -46.28 77.4 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 124.858 1.263 . . . . 0.0 108.682 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.65 -39.79 85.57 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.284 0.493 . . . . 0.0 111.333 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -56.77 -45.5 82.07 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -62.88 -37.75 88.14 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-O 118.074 -0.965 . . . . 0.0 111.982 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 68.2 mt -59.2 -57.21 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-N 119.888 1.222 . . . . 0.0 107.868 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 31.2 mt -56.79 -35.0 68.21 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 125.127 1.371 . . . . 0.0 111.026 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 36.4 ttt180 -63.53 -27.3 69.17 Favored 'General case' 0 C--O 1.228 -0.067 0 N-CA-C 114.325 1.232 . . . . 0.0 114.325 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -109.67 -47.82 3.31 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 119.894 1.225 . . . . 0.0 111.324 -178.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -72.63 -59.39 2.74 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 122.976 0.51 . . . . 0.0 111.429 -179.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.77 -179.17 7.35 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 122.123 0.963 . . . . 0.0 110.838 -179.576 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 179.87 171.07 42.36 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 108.933 -1.667 . . . . 0.0 108.933 179.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -73.77 83.17 1.61 Allowed 'Trans proline' 0 N--CA 1.451 -1.011 0 C-N-CA 123.749 2.966 . . . . 0.0 108.867 179.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 18.6 m -61.17 164.55 5.14 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.283 1.033 . . . . 0.0 110.372 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 9.8 t -50.78 109.56 0.33 Allowed 'General case' 0 C--O 1.237 0.427 0 C-N-CA 125.071 1.348 . . . . 0.0 111.547 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.245 -1.309 . . . . 0.0 110.428 179.893 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.512 0 N-CA-C 109.096 -1.602 . . . . 0.0 109.096 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.2 m -61.11 156.21 18.67 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 124.792 1.237 . . . . 0.0 111.103 -179.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.89 163.05 33.95 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 124.552 1.141 . . . . 0.0 109.96 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.25 172.94 20.27 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 125.766 1.651 . . . . 0.0 110.224 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.3 m -68.15 157.11 36.08 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 123.584 0.754 . . . . 0.0 110.378 179.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.2 m -113.43 172.57 6.88 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.086 1.355 . . . . 0.0 109.188 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.56 -113.53 0.57 Allowed Glycine 0 C--N 1.331 0.292 0 N-CA-C 108.343 -1.903 . . . . 0.0 108.343 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -101.99 148.77 24.96 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.4 mp -70.61 -18.49 62.88 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 118.537 -0.744 . . . . 0.0 112.274 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.6 m -65.0 -29.96 70.92 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 120.232 1.378 . . . . 0.0 109.526 178.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 56.8 m -68.24 -19.73 64.76 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 118.79 0.723 . . . . 0.0 110.542 178.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -78.57 -26.58 45.59 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.045 -1.035 . . . . 0.0 108.834 179.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.49 -45.85 97.78 Favored 'Isoleucine or valine' 0 C--N 1.343 0.304 0 N-CA-C 105.712 -1.959 . . . . 0.0 105.712 178.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -59.74 -28.37 67.3 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.632 0.773 . . . . 0.0 111.105 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -84.91 -34.67 22.49 Favored 'General case' 0 C--N 1.342 0.257 0 CA-C-N 119.037 0.835 . . . . 0.0 110.856 179.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.0 mt -69.14 -33.02 72.79 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 118.762 -0.637 . . . . 0.0 110.185 179.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.0 mtt -53.34 -44.77 68.76 Favored 'General case' 0 C--N 1.341 0.208 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 m -60.14 1.11 0.12 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 127.249 2.22 . . . . 0.0 115.502 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -111.9 -7.58 14.15 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.604 1.162 . . . . 0.0 110.915 178.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.14 -4.22 31.64 Favored Glycine 0 C--N 1.337 0.631 0 C-N-CA 125.541 1.543 . . . . 0.0 113.901 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -76.79 118.22 19.18 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 118.946 1.373 . . . . 0.0 108.274 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.4 m -66.46 155.89 36.27 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -50.52 -43.92 56.08 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.752 0.821 . . . . 0.0 112.316 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -60.24 -45.24 93.93 Favored 'General case' 0 C--O 1.224 -0.266 0 C-N-CA 123.083 0.553 . . . . 0.0 110.814 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -61.48 -46.49 89.81 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.8 mt -58.8 -46.48 90.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -59.89 -51.39 69.89 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 124.646 1.178 . . . . 0.0 110.535 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.3 mtpt -56.71 -46.09 81.46 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 124.109 0.964 . . . . 0.0 109.453 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.19 -41.49 97.07 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 118.864 0.756 . . . . 0.0 110.458 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 27.6 mt -61.73 -54.4 43.08 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 118.754 0.706 . . . . 0.0 111.844 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.6 p -57.49 -39.53 69.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 CA-C-N 118.661 0.664 . . . . 0.0 111.646 -178.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.8 mt -71.39 -33.18 49.13 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 O-C-N 121.425 -0.797 . . . . 0.0 110.078 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.31 4.05 32.85 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.177 1.391 . . . . 0.0 111.807 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 21.7 m170 58.48 53.36 6.28 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.488 1.515 . . . . 0.0 108.474 -178.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 44.5 t30 62.42 6.01 1.8 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 127.817 2.447 . . . . 0.0 114.001 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -75.06 103.65 5.33 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 119.106 0.867 . . . . 0.0 108.717 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 8.6 tp -60.88 -40.42 85.18 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 123.27 0.628 . . . . 0.0 112.616 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.42 -40.26 95.98 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 119.284 0.947 . . . . 0.0 111.096 -178.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 21.1 ttt -74.05 -46.96 39.98 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 125.174 1.39 . . . . 0.0 108.204 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.72 -38.57 78.64 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.228 1.011 . . . . 0.0 110.568 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -59.57 -43.09 93.7 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 118.14 -0.934 . . . . 0.0 109.468 178.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -60.0 -44.4 94.57 Favored 'General case' 0 N--CA 1.458 -0.031 0 CA-C-O 118.555 -0.736 . . . . 0.0 109.704 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 63.7 mt -53.94 -55.91 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.4 mt -58.84 -41.1 86.14 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 123.499 0.719 . . . . 0.0 112.902 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -73.73 -6.83 49.32 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 116.103 1.89 . . . . 0.0 116.103 -178.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.477 ' HB3' ' HE3' ' B' ' 28' ' ' LYS . 44.1 mm-40 -120.13 -40.42 2.72 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -179.345 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -92.24 -31.0 15.59 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 119.228 0.922 . . . . 0.0 111.417 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.2 m -109.44 -177.4 3.28 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 124.823 1.249 . . . . 0.0 108.064 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -165.7 179.55 39.94 Favored Glycine 0 CA--C 1.526 0.774 0 O-C-N 121.388 -0.82 . . . . 0.0 111.964 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -72.46 157.64 52.61 Favored 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 123.063 2.509 . . . . 0.0 109.58 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.6 p -120.98 -23.6 5.81 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.344 1.058 . . . . 0.0 113.36 -179.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.5 m -142.8 128.55 19.31 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.765 0 CA-C-O 118.06 -1.411 . . . . 0.0 109.574 -179.603 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.831 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 32.1 m -54.9 132.61 46.95 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 125.374 1.47 . . . . 0.0 110.196 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 66.6 p -146.21 173.32 12.33 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 120.993 0.425 . . . . 0.0 111.794 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.58 177.81 41.24 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.267 -1.133 . . . . 0.0 110.267 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.28 134.4 45.54 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 179.263 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 20.7 m -135.68 171.98 13.67 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 126.835 2.054 . . . . 0.0 107.375 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.1 -42.63 0.5 Allowed Glycine 0 CA--C 1.519 0.321 0 N-CA-C 110.192 -1.163 . . . . 0.0 110.192 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -141.42 141.3 33.73 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 178.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 9.8 mp -63.65 -29.75 70.95 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.283 1.033 . . . . 0.0 108.793 179.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 15.8 m -55.01 -38.36 67.79 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 124.801 1.241 . . . . 0.0 109.837 178.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.78 -41.79 64.65 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.531 1.532 . . . . 0.0 110.3 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -63.18 -38.73 92.33 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.4 1.08 . . . . 0.0 110.243 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 50.3 mt -58.18 -41.67 81.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 C-N-CA 124.803 1.241 . . . . 0.0 108.817 179.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -65.9 -25.35 67.12 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 121.759 -0.588 . . . . 0.0 111.576 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -80.98 -26.14 36.78 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 119.359 0.981 . . . . 0.0 109.534 178.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 14.7 mt -68.56 -37.01 79.55 Favored 'General case' 0 C--O 1.232 0.16 0 O-C-N 121.378 -0.826 . . . . 0.0 109.076 179.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 54.4 mtt -55.8 -40.12 72.26 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 123.648 0.779 . . . . 0.0 109.833 178.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 2.7 m -57.94 -18.91 26.43 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.529 1.531 . . . . 0.0 112.9 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -93.39 -22.41 18.94 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 119.531 1.059 . . . . 0.0 110.832 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.52 -20.81 5.47 Favored Glycine 0 C--N 1.337 0.637 0 C-N-CA 124.502 1.048 . . . . 0.0 114.226 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -58.04 122.02 12.03 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 9.7 m -68.78 158.24 34.76 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.967 0.413 . . . . 0.0 110.289 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -55.66 -45.2 77.75 Favored 'General case' 0 N--CA 1.455 -0.201 0 O-C-N 121.676 -0.64 . . . . 0.0 111.72 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -62.02 -39.8 93.53 Favored 'General case' 0 N--CA 1.457 -0.093 0 CA-C-O 118.938 -0.553 . . . . 0.0 111.101 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -63.54 -47.59 80.97 Favored 'General case' 0 CA--C 1.52 -0.175 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 53.9 mt -58.47 -51.76 67.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -57.06 -44.12 82.74 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 118.688 0.676 . . . . 0.0 110.473 179.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.477 ' HE3' ' HB3' ' A' ' 46' ' ' GLU . 34.2 mtpt -60.0 -46.59 88.98 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 123.699 0.8 . . . . 0.0 109.727 179.281 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.75 -46.5 87.76 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.566 -0.709 . . . . 0.0 109.597 179.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -57.96 -56.8 17.37 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.58 0.752 . . . . 0.0 111.718 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 6.0 p -56.09 -47.31 80.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 118.228 0.467 . . . . 0.0 111.901 -178.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 88.9 mt -65.12 -33.78 66.08 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 CA-C-O 119.018 -0.515 . . . . 0.0 110.034 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.93 12.48 1.35 Allowed 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.055 0.843 . . . . 0.0 111.171 178.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 19.9 m170 60.52 34.88 20.29 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.55 1.54 . . . . 0.0 108.401 -178.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 61.2 t30 76.32 4.97 3.67 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 129.748 3.219 . . . . 0.0 113.364 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -75.34 105.25 6.27 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 120.465 -1.397 . . . . 0.0 109.427 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 6.6 tp -57.48 -39.4 68.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 125.218 1.407 . . . . 0.0 113.463 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -65.4 -47.1 77.45 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 124.148 0.979 . . . . 0.0 110.13 -178.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 15.2 ttt -65.83 -41.65 91.52 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 125.636 1.574 . . . . 0.0 108.174 179.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.86 -36.08 83.19 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.236 1.015 . . . . 0.0 111.218 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -61.91 -40.09 94.26 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -62.4 -40.34 96.2 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-O 118.522 -0.751 . . . . 0.0 109.407 178.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 69.9 mt -58.13 -55.88 19.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 62.1 mt -55.56 -49.24 73.21 Favored 'General case' 0 C--O 1.223 -0.33 0 C-N-CA 123.136 0.575 . . . . 0.0 110.968 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 33.1 ttm-85 -61.36 -41.51 97.19 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -79.64 -31.4 41.54 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 115.826 1.788 . . . . 0.0 115.826 -177.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -107.17 -51.18 2.96 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 119.56 1.073 . . . . 0.0 112.967 -178.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 14.0 m -84.79 -179.44 7.1 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.252 1.421 . . . . 0.0 110.938 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -167.43 178.61 41.39 Favored Glycine 0 CA--C 1.528 0.905 0 O-C-N 120.978 -1.076 . . . . 0.0 111.396 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -65.91 170.28 11.83 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 123.675 2.917 . . . . 0.0 111.448 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 9.3 p -126.18 -22.1 4.14 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.116 1.366 . . . . 0.0 112.597 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 19.7 t -154.01 179.62 8.75 Favored 'General case' 0 C--O 1.242 0.676 0 C-N-CA 125.166 1.386 . . . . 0.0 108.848 178.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.935 0 CA-C-O 116.977 -2.013 . . . . 0.0 109.966 -179.133 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.902 0 N-CA-C 109.97 -1.252 . . . . 0.0 109.97 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.6 p -65.88 173.77 2.77 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 117.312 0.556 . . . . 0.0 111.242 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.3 p -147.18 -160.71 1.2 Allowed 'General case' 0 C--O 1.241 0.615 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 178.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.71 -42.51 1.89 Allowed Glycine 0 CA--C 1.519 0.334 0 CA-C-O 118.149 -1.362 . . . . 0.0 113.2 178.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -146.62 -59.9 0.3 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-N 118.927 1.364 . . . . 0.0 111.397 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.97 178.75 4.11 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 122.957 0.503 . . . . 0.0 111.209 -179.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.79 -9.02 0.45 Allowed Glycine 0 CA--C 1.529 0.936 0 C-N-CA 124.847 1.213 . . . . 0.0 113.599 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 -55.76 142.31 35.1 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 126.071 1.748 . . . . 0.0 108.055 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -80.29 -14.3 58.49 Favored 'General case' 0 C--O 1.227 -0.117 0 N-CA-C 115.72 1.748 . . . . 0.0 115.72 -178.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.55 -47.06 76.97 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 121.165 1.802 . . . . 0.0 110.302 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.3 p -69.63 -31.22 69.19 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 125.34 1.456 . . . . 0.0 110.813 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -66.57 -27.55 67.82 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 121.283 -0.886 . . . . 0.0 110.386 178.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.5 mt -66.22 -46.53 87.16 Favored 'Isoleucine or valine' 0 C--N 1.341 0.221 0 N-CA-C 105.557 -2.016 . . . . 0.0 105.557 178.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -57.41 -42.23 81.87 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 117.989 0.359 . . . . 0.0 110.546 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -60.78 -33.33 72.81 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 118.979 -0.534 . . . . 0.0 110.061 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 32.8 mt -76.56 -24.57 53.57 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 119.061 0.846 . . . . 0.0 111.86 179.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 64.3 mtt -60.33 -32.22 71.04 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.0 m -64.21 -13.24 47.62 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 125.773 1.629 . . . . 0.0 113.416 179.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -93.51 -19.17 21.49 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.913 0.779 . . . . 0.0 109.437 178.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.51 6.3 27.23 Favored Glycine 0 CA--C 1.534 1.265 0 CA-C-O 118.573 -1.126 . . . . 0.0 113.998 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -81.35 151.07 28.16 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 119.272 1.536 . . . . 0.0 107.625 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.9 m -86.86 152.01 22.83 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.713 -0.617 . . . . 0.0 110.964 179.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -51.25 -49.86 60.33 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 124.81 1.244 . . . . 0.0 112.191 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -60.42 -48.61 81.0 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.545 0.738 . . . . 0.0 110.871 -178.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -56.13 -44.9 79.63 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.989 0.813 . . . . 0.0 109.658 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.0 mt -59.76 -45.13 94.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -63.49 -41.01 98.56 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.956 0.798 . . . . 0.0 110.516 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.415 ' HZ2' ' C ' ' B' ' 53' ' ' GLY . 3.3 mptp? -62.45 -48.1 81.12 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 120.294 1.406 . . . . 0.0 108.278 178.622 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.39 -40.46 86.66 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.746 -0.596 . . . . 0.0 110.945 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 22.5 mt -65.93 -48.53 71.06 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-O 118.072 -0.966 . . . . 0.0 112.347 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.2 -39.42 85.19 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 CA-C-N 119.293 0.952 . . . . 0.0 111.333 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.7 mt -71.2 -27.49 29.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 O-C-N 121.05 -1.032 . . . . 0.0 109.152 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.24 12.79 14.98 Favored 'General case' 0 N--CA 1.449 -0.523 0 O-C-N 120.966 -1.084 . . . . 0.0 111.109 179.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 10.3 m170 51.82 53.43 12.65 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 122.864 1.316 . . . . 0.0 110.266 -179.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 63.18 4.32 1.58 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 127.416 2.287 . . . . 0.0 113.601 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -77.27 106.17 8.84 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 120.302 1.41 . . . . 0.0 110.502 -179.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.1 tp -59.98 -43.24 91.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 123.939 0.895 . . . . 0.0 112.894 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -62.77 -46.45 87.94 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 119.772 1.169 . . . . 0.0 111.401 -178.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 16.3 ttt -63.01 -49.03 76.28 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.38 -42.33 81.92 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.885 0.874 . . . . 0.0 111.399 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -58.57 -41.73 86.36 Favored 'General case' 0 C--O 1.233 0.231 0 O-C-N 121.604 -0.685 . . . . 0.0 109.572 179.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -65.04 -37.23 86.91 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-O 117.907 -1.044 . . . . 0.0 109.682 179.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.4 mt -58.9 -54.83 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 106.209 -1.774 . . . . 0.0 106.209 178.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.0 mt -56.28 -35.99 68.1 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.315 0.646 . . . . 0.0 112.327 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.95 -36.74 84.94 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 119.721 1.146 . . . . 0.0 113.71 -179.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -104.08 -18.5 14.52 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -179.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -112.12 -17.35 12.84 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 t -125.91 23.64 7.18 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.296 1.838 . . . . 0.0 108.11 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -160.3 174.31 37.01 Favored Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 108.399 -1.88 . . . . 0.0 108.399 -179.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -68.61 108.85 1.94 Allowed 'Trans proline' 0 N--CA 1.451 -1.008 0 C-N-CA 122.921 2.414 . . . . 0.0 111.031 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.3 p -71.52 96.63 1.54 Allowed 'General case' 0 C--O 1.236 0.363 0 N-CA-C 105.042 -2.207 . . . . 0.0 105.042 178.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.3 t -63.03 -26.07 68.67 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 125.957 1.703 . . . . 0.0 115.534 -177.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.46 ' C ' ' HZ2' ' B' ' 28' ' ' LYS . . . . . . . . 0 C--O 1.247 0.969 0 CA-C-N 121.764 2.074 . . . . 0.0 110.106 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.533 0 N-CA-C 110.372 -1.091 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 6.3 p -71.33 175.16 5.62 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 124.183 0.993 . . . . 0.0 112.362 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 24.9 p -143.53 174.39 10.8 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 124.101 0.96 . . . . 0.0 110.528 178.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.27 -93.89 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 107.21 -2.356 . . . . 0.0 107.21 179.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 71.1 m -133.8 1.59 3.34 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.161 1.384 . . . . 0.0 112.52 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 15.7 t -101.84 130.96 48.41 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 124.435 1.094 . . . . 0.0 108.824 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.75 5.17 3.09 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 127.159 2.314 . . . . 0.0 111.169 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -76.1 159.25 30.93 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 126.608 1.963 . . . . 0.0 107.742 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 10.2 mp -108.77 -17.8 13.86 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 118.342 -0.837 . . . . 0.0 112.341 -179.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.87 -45.43 71.0 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.348 1.059 . . . . 0.0 111.329 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 15.8 p -62.11 -30.2 70.85 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.07 0.548 . . . . 0.0 111.927 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -78.64 -23.15 45.97 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.444 1.098 . . . . 0.0 111.777 -178.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 67.2 mt -66.91 -49.32 75.03 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 N-CA-C 106.051 -1.833 . . . . 0.0 106.051 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -60.29 -30.46 69.48 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 122.163 -0.336 . . . . 0.0 111.54 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 79.5 mtt180 -70.81 -37.93 73.29 Favored 'General case' 0 C--N 1.34 0.175 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 20.8 mt -70.94 -31.01 67.48 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 118.924 -0.56 . . . . 0.0 111.187 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 17.9 mtt -57.86 -33.0 68.2 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 118.761 0.71 . . . . 0.0 111.069 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 10.6 m -61.36 -23.15 65.57 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.728 0.811 . . . . 0.0 112.553 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -87.12 -1.81 58.16 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.384 -0.823 . . . . 0.0 111.138 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.65 -0.2 56.65 Favored Glycine 0 CA--C 1.523 0.576 0 CA-C-O 118.347 -1.252 . . . . 0.0 114.54 179.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -73.79 123.72 24.7 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 119.142 1.471 . . . . 0.0 108.846 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 6.0 m -62.81 155.96 25.34 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 118.504 0.593 . . . . 0.0 109.547 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -57.56 -47.16 82.84 Favored 'General case' 0 C--O 1.232 0.169 0 O-C-N 121.611 -0.681 . . . . 0.0 110.97 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -61.6 -43.44 98.86 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 118.61 -0.71 . . . . 0.0 110.952 -178.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -54.95 -50.52 68.69 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 31.3 mt -58.5 -44.53 89.26 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 O-C-N 121.093 -1.004 . . . . 0.0 109.072 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -59.92 -47.72 84.64 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.509 -0.744 . . . . 0.0 111.305 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.46 ' HZ2' ' C ' ' A' ' 53' ' ' GLY . 3.2 mptp? -61.75 -46.96 87.36 Favored 'General case' 0 CA--C 1.52 -0.181 0 C-N-CA 123.653 0.781 . . . . 0.0 109.525 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.76 -43.89 97.41 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 119.047 -0.501 . . . . 0.0 109.953 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 33.6 mt -63.32 -47.3 82.78 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 119.103 0.865 . . . . 0.0 113.322 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 9.9 p -64.52 -47.04 90.85 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 CA-C-O 118.629 -0.701 . . . . 0.0 109.915 -179.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 58.5 mt -65.23 -35.47 75.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.47 1.96 15.08 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.132 -0.98 . . . . 0.0 111.944 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 31.9 m170 60.95 56.51 2.83 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 126.128 1.771 . . . . 0.0 110.435 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 56.5 29.6 15.69 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 126.357 1.863 . . . . 0.0 113.382 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -106.22 103.6 13.11 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 7.2 tp -60.77 -37.3 75.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 C-N-CA 123.374 0.67 . . . . 0.0 112.526 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -70.25 -36.82 74.71 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.506 1.048 . . . . 0.0 112.368 -178.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 12.7 ttt -73.39 -48.9 30.28 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 106.497 -1.668 . . . . 0.0 106.497 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.38 -39.66 84.07 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.973 0.909 . . . . 0.0 110.088 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -55.88 -43.9 77.62 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 123.717 0.807 . . . . 0.0 108.999 178.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 46.6 m-20 -65.26 -36.21 83.43 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-O 118.585 -0.721 . . . . 0.0 110.444 178.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 68.6 mt -60.71 -50.7 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 178.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.71 -37.87 83.15 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.329 0.652 . . . . 0.0 111.873 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -68.46 -33.23 73.82 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 -178.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -92.95 -53.24 4.23 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.602 0.637 . . . . 0.0 112.536 -178.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -78.23 -51.71 9.77 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 121.637 -0.665 . . . . 0.0 111.774 -178.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.0 16.25 5.17 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.272 1.029 . . . . 0.0 110.75 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -141.51 -178.08 17.34 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 125.358 1.456 . . . . 0.0 110.331 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -69.99 108.37 2.11 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 123.254 2.636 . . . . 0.0 112.523 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 6.1 p -82.02 67.6 8.08 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 178.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 23.3 t -49.05 -50.77 34.82 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 127.256 2.222 . . . . 0.0 111.903 -178.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.415 ' C ' ' HZ2' ' A' ' 28' ' ' LYS . . . . . . . . 0 C--O 1.249 1.048 0 N-CA-C 106.452 -2.659 . . . . 0.0 106.452 179.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.828 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 m -150.83 177.13 10.41 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 125.239 1.416 . . . . 0.0 107.592 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 p -148.46 174.51 12.0 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 123.855 0.862 . . . . 0.0 108.85 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.44 -169.61 15.86 Favored Glycine 0 CA--C 1.523 0.58 0 C-N-CA 124.253 0.93 . . . . 0.0 110.849 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 p -84.09 -12.88 54.37 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.758 1.223 . . . . 0.0 113.73 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 p -63.46 176.87 0.75 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.281 1.832 . . . . 0.0 113.621 -179.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.05 161.97 31.46 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 107.938 -2.065 . . . . 0.0 107.938 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 -116.49 -170.81 1.89 Allowed 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 126.13 1.772 . . . . 0.0 107.603 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.6 mp -60.11 -23.01 63.5 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.321 -0.862 . . . . 0.0 109.571 178.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.63 -29.69 62.48 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.931 1.292 . . . . 0.0 109.7 178.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 62.9 p -63.56 -42.42 98.34 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.855 1.207 . . . . 0.0 109.973 178.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -64.17 -34.01 77.09 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.162 1.385 . . . . 0.0 110.739 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 59.9 mt -59.69 -45.5 94.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -65.45 -17.32 64.46 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 123.048 0.539 . . . . 0.0 111.946 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -87.85 -38.27 15.81 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 178.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.1 mt -61.19 -34.5 75.17 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 33.6 mtt -60.39 -40.0 89.3 Favored 'General case' 0 C--N 1.339 0.151 0 CA-C-N 118.43 0.559 . . . . 0.0 110.37 178.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.7 t -66.92 -25.7 66.5 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -73.21 -29.08 62.55 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 119.241 0.928 . . . . 0.0 109.747 178.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 133.18 -20.65 4.2 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 124.748 1.166 . . . . 0.0 113.529 179.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -67.13 131.84 46.61 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.449 1.124 . . . . 0.0 111.992 -178.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.21 153.06 43.54 Favored 'General case' 0 CA--C 1.53 0.192 0 O-C-N 121.781 -0.574 . . . . 0.0 110.14 179.494 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -59.62 -37.68 79.28 Favored 'General case' 0 C--O 1.236 0.382 0 O-C-N 121.532 -0.73 . . . . 0.0 110.826 179.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -58.58 -54.91 41.76 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.91 -52.44 57.68 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 127.897 2.479 . . . . 0.0 109.921 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 55.1 mt -53.3 -54.45 17.84 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 C-N-CA 124.324 1.05 . . . . 0.0 110.325 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -64.59 -50.81 65.77 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 117.428 -1.273 . . . . 0.0 109.866 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -48.61 -41.9 32.36 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 120.427 1.467 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.91 -47.27 63.1 Favored 'General case' 0 C--O 1.228 -0.075 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.2 mt -56.61 -47.56 79.35 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-O 117.982 -1.009 . . . . 0.0 111.061 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.9 t -54.62 -53.04 35.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-N 119.37 0.986 . . . . 0.0 109.487 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.16 -36.39 75.78 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 C-N-CA 123.324 0.65 . . . . 0.0 110.399 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.24 15.65 1.15 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.098 1.359 . . . . 0.0 112.201 179.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 30.2 m170 55.45 38.72 30.66 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 120.082 1.31 . . . . 0.0 109.961 -178.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 33.6 m120 65.8 16.76 10.62 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 128.705 2.802 . . . . 0.0 113.355 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -81.18 111.27 17.45 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.424 1.09 . . . . 0.0 108.385 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.1 tp -61.52 -42.37 93.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 124.294 1.037 . . . . 0.0 113.745 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -66.72 -46.06 76.72 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.15 -0.969 . . . . 0.0 110.424 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 16.3 ttt -61.94 -48.74 79.08 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.74 -39.84 86.11 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.506 0.723 . . . . 0.0 111.261 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -57.75 -43.18 85.24 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 123.505 0.722 . . . . 0.0 109.897 178.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -62.37 -42.35 99.34 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 123.923 0.764 . . . . 0.0 109.022 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 39.2 mt -57.21 -55.69 19.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.3 mt -55.04 -45.56 75.23 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.271 0.628 . . . . 0.0 111.683 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.6 ttt180 -64.23 -40.27 95.69 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -178.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -89.59 -22.98 22.08 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 115.615 1.709 . . . . 0.0 115.615 -178.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -112.21 -20.86 11.73 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 119.945 1.248 . . . . 0.0 113.78 -179.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.6 t -121.75 13.4 10.75 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.238 1.415 . . . . 0.0 109.089 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -143.01 -161.82 8.99 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 126.76 2.124 . . . . 0.0 110.249 -179.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -66.82 158.74 54.82 Favored 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 123.18 2.587 . . . . 0.0 113.721 -178.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.5 p -69.1 105.55 2.49 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 107.068 -1.456 . . . . 0.0 107.068 178.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 t 70.86 140.91 0.05 OUTLIER 'General case' 0 C--O 1.236 0.352 0 C-N-CA 126.052 1.741 . . . . 0.0 110.818 -179.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.074 0 CA-C-O 116.122 -2.488 . . . . 0.0 111.269 179.301 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.952 0 N-CA-C 108.271 -1.932 . . . . 0.0 108.271 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 14.7 m -132.61 164.87 25.72 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 106.703 -1.592 . . . . 0.0 106.703 178.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 12.4 p -144.51 -179.06 6.31 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 124.386 1.074 . . . . 0.0 109.325 -179.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.26 -175.62 15.73 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 108.228 -1.949 . . . . 0.0 108.228 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 3.0 p -68.62 2.21 2.62 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.942 1.297 . . . . 0.0 113.411 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 3.2 p -66.97 156.51 35.76 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.836 1.254 . . . . 0.0 110.53 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.46 166.37 27.28 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 126.143 1.83 . . . . 0.0 108.65 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -140.46 177.48 7.98 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.542 1.537 . . . . 0.0 108.364 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 10.9 mp -55.36 -22.35 19.06 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 119.452 1.024 . . . . 0.0 112.146 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.15 -32.18 54.62 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.73 1.212 . . . . 0.0 110.334 178.581 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 13.4 p -65.26 -42.69 92.98 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 118.432 0.56 . . . . 0.0 110.344 178.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -64.69 -38.31 90.55 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 90.4 mt -61.41 -43.24 96.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 N-CA-C 107.548 -1.278 . . . . 0.0 107.548 178.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -62.86 -38.47 90.96 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 118.604 0.638 . . . . 0.0 109.949 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 -68.3 -36.76 79.83 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 118.143 -0.932 . . . . 0.0 109.967 179.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 85.6 mt -66.55 -39.43 88.53 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 14.5 mtm -63.18 -43.42 98.27 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 178.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 9.5 t -62.32 -38.72 90.55 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.145 0.978 . . . . 0.0 109.312 178.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -59.02 -35.17 72.83 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-N 119.443 1.02 . . . . 0.0 109.979 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 145.17 -5.01 1.39 Allowed Glycine 0 C--N 1.337 0.623 0 CA-C-O 118.511 -1.161 . . . . 0.0 113.864 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -82.93 165.33 19.82 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 119.455 1.627 . . . . 0.0 110.831 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 55.7 m -102.81 152.35 21.36 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 125.19 1.396 . . . . 0.0 108.797 179.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -55.33 -36.56 66.38 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.542 0.337 . . . . 0.0 111.011 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -54.31 -63.87 1.01 Allowed 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.554 1.142 . . . . 0.0 111.3 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -57.12 -44.86 83.72 Favored 'General case' 0 CA--C 1.517 -0.319 0 C-N-CA 124.867 1.267 . . . . 0.0 111.474 -178.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 31.4 mt -59.85 -46.91 93.25 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -63.75 -55.43 23.27 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 118.701 -0.666 . . . . 0.0 110.227 179.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mtpp -50.79 -39.51 52.92 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.299 0.954 . . . . 0.0 110.702 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.43 -53.84 17.33 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-O 118.317 -0.849 . . . . 0.0 108.766 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 15.0 mt -52.33 -47.2 66.15 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.232 1.413 . . . . 0.0 112.246 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 55.0 t -56.43 -57.69 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 C-N-CA 125.484 1.514 . . . . 0.0 108.504 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 62.0 mt -66.81 -25.27 34.22 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 C-N-CA 123.06 0.544 . . . . 0.0 110.424 -179.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.74 15.33 3.3 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.755 1.622 . . . . 0.0 111.885 179.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 40.6 m170 52.66 45.77 28.02 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.322 1.049 . . . . 0.0 110.756 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 27.5 m120 62.45 25.39 15.14 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.389 1.876 . . . . 0.0 113.808 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -99.33 110.27 22.8 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.73 1.212 . . . . 0.0 108.816 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 5.0 tp -62.26 -37.26 78.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 124.48 1.112 . . . . 0.0 113.097 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -72.67 -45.01 61.04 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 124.168 0.987 . . . . 0.0 111.38 -178.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 19.1 ttt -60.64 -46.39 90.49 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 178.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.34 -37.87 81.99 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 118.612 -0.708 . . . . 0.0 110.363 178.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -61.17 -39.89 91.83 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 120.351 1.432 . . . . 0.0 109.329 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -60.98 -42.14 97.78 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 57.6 mt -60.25 -50.03 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 N-CA-C 106.884 -1.524 . . . . 0.0 106.884 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.25 -6.78 7.46 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.499 0.719 . . . . 0.0 112.342 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -96.48 -66.07 0.93 Allowed 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 119.847 1.203 . . . . 0.0 109.959 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -74.4 0.39 14.68 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 115.111 1.522 . . . . 0.0 115.111 -177.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -134.88 -58.86 0.8 Allowed 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 119.003 0.82 . . . . 0.0 109.589 178.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 3.1 t -81.03 -0.82 41.42 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.986 -0.446 . . . . 0.0 112.175 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -124.89 -167.4 12.6 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 125.522 1.535 . . . . 0.0 109.842 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -75.09 -156.56 0.06 OUTLIER 'Trans proline' 0 CA--C 1.544 1.008 0 C-N-CA 124.193 3.262 . . . . 0.0 109.587 179.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 13.1 p -66.28 175.7 2.07 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 120.553 -1.342 . . . . 0.0 110.722 178.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 4.5 t -55.55 154.13 6.91 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 123.635 0.774 . . . . 0.0 110.405 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.866 0 N-CA-C 105.969 -2.852 . . . . 0.0 105.969 -178.647 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 tp . . . . . 0 N--CA 1.457 -0.082 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.2 m -57.61 -31.07 65.85 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.206 1.402 . . . . 0.0 108.82 178.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.2 p -57.06 -21.23 29.94 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 127.614 2.366 . . . . 0.0 111.528 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -102.68 -29.55 11.45 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 125.009 1.324 . . . . 0.0 110.851 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.455 HG23 HG21 ' A' ' 26' ' ' ILE . 76.6 mt -61.52 -42.74 95.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 178.075 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -60.42 -37.55 81.23 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 125.11 1.364 . . . . 0.0 110.711 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 83.0 mtt-85 -74.82 -33.6 62.22 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 121.451 -0.781 . . . . 0.0 110.395 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.52 HD21 ' HG2' ' A' ' 41' ' ' LYS . 64.4 mt -67.52 -30.68 70.41 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 118.662 -0.685 . . . . 0.0 110.703 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 55.6 mtt -61.26 -40.58 94.61 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 177.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.4 t -57.49 -44.0 84.62 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.245 1.418 . . . . 0.0 110.349 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -63.4 -19.65 64.86 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.402 0.681 . . . . 0.0 112.335 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.83 2.02 34.37 Favored Glycine 0 C--N 1.335 0.504 0 CA-C-O 118.313 -1.27 . . . . 0.0 112.935 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -75.47 131.27 40.01 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 106.591 -1.633 . . . . 0.0 106.591 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.7 t -69.38 161.25 29.77 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 118.527 0.603 . . . . 0.0 110.707 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -56.11 -43.49 78.19 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -61.52 -48.01 83.0 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 123.292 0.637 . . . . 0.0 110.604 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -56.71 -47.11 80.65 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.139 0.976 . . . . 0.0 110.296 -179.233 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.455 HG21 HG23 ' A' ' 13' ' ' ILE . 57.1 mt -57.73 -50.83 76.24 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -60.77 -55.48 32.66 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-O 118.432 -0.794 . . . . 0.0 110.573 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -48.21 -41.26 26.84 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.58 1.082 . . . . 0.0 111.051 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.01 -46.0 69.11 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 118.633 0.651 . . . . 0.0 109.598 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 23.2 mt -57.79 -45.66 85.72 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 118.903 0.774 . . . . 0.0 110.526 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 83.7 t -55.9 -48.94 77.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 C-N-CA 124.727 1.211 . . . . 0.0 111.222 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.518 HD13 ' HA ' ' B' ' 43' ' ' ILE . 32.8 mt -74.67 -32.15 28.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 C-N-CA 123.488 0.715 . . . . 0.0 110.814 -178.625 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.31 2.76 20.3 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.148 0.979 . . . . 0.0 111.959 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 42.5 m170 59.33 49.96 8.3 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.933 1.693 . . . . 0.0 109.306 -178.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.8 m120 62.47 15.92 8.23 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 129.424 3.09 . . . . 0.0 113.978 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -80.81 105.73 12.27 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.7 tp -62.92 -38.31 81.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 118.879 0.763 . . . . 0.0 112.052 -179.139 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -62.76 -50.44 71.04 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 119.875 1.216 . . . . 0.0 110.719 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 16.2 ttt -60.55 -44.74 95.8 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 125.161 1.384 . . . . 0.0 108.045 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.1 -41.05 99.3 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 122.841 0.456 . . . . 0.0 110.637 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.52 ' HG2' HD21 ' A' ' 16' ' ' LEU . 43.2 mttm -61.77 -41.12 97.29 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 178.637 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -59.37 -43.4 92.87 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 123.455 0.702 . . . . 0.0 110.308 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 97.0 mt -54.74 -55.45 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 72.1 mt -56.65 -43.59 80.49 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.34 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 -66.37 -17.69 64.92 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -117.08 -10.96 10.79 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 120.376 1.444 . . . . 0.0 112.195 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -123.56 -47.97 1.95 Allowed 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.0 t . . . . . 0 CA--C 1.547 0.83 0 C-N-CA 123.799 0.84 . . . . 0.0 109.897 179.755 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 9.5 mp . . . . . 0 CA--C 1.531 0.239 0 CA-C-O 118.709 -0.663 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 1.5 m -48.8 -42.43 35.88 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.58 1.552 . . . . 0.0 112.021 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.84 -32.63 74.21 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.562 1.145 . . . . 0.0 113.255 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -78.12 -30.11 49.25 Favored 'General case' 0 C--O 1.23 0.06 0 CA-C-N 118.652 0.66 . . . . 0.0 110.977 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.16 -41.65 93.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 N-CA-C 106.158 -1.793 . . . . 0.0 106.158 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -65.1 -38.04 89.45 Favored 'General case' 0 C--O 1.233 0.214 0 O-C-N 121.865 -0.522 . . . . 0.0 110.195 178.531 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 84.2 mtt-85 -65.64 -33.49 76.02 Favored 'General case' 0 C--N 1.343 0.315 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.458 HD21 ' HG2' ' B' ' 41' ' ' LYS . 35.6 mt -70.09 -32.7 70.89 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 118.42 -0.8 . . . . 0.0 110.963 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 39.4 mtt -63.14 -36.41 83.53 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 119.254 0.934 . . . . 0.0 108.558 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.34 -35.62 72.19 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.478 1.511 . . . . 0.0 109.932 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -68.39 -31.43 70.78 Favored 'General case' 0 N--CA 1.457 -0.125 0 O-C-N 121.406 -0.809 . . . . 0.0 110.771 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.07 -13.93 6.65 Favored Glycine 0 CA--C 1.523 0.551 0 C-N-CA 125.162 1.363 . . . . 0.0 112.995 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -64.09 136.78 57.57 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.541 1.171 . . . . 0.0 108.627 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 10.2 t -79.63 153.3 29.48 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -52.63 -41.56 63.84 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 123.985 0.914 . . . . 0.0 111.636 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -58.35 -54.84 42.41 Favored 'General case' 0 C--N 1.342 0.252 0 CA-C-N 118.702 0.683 . . . . 0.0 109.562 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -59.65 -41.42 90.49 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.934 0.893 . . . . 0.0 110.533 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 60.4 mt -58.71 -47.5 88.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 CA-C-N 119.582 1.083 . . . . 0.0 108.559 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -62.79 -49.48 74.79 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 118.014 -0.993 . . . . 0.0 108.982 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -54.24 -40.18 67.48 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 120.633 1.561 . . . . 0.0 111.131 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.16 -47.8 81.12 Favored 'General case' 0 N--CA 1.463 0.225 0 O-C-N 121.52 -0.738 . . . . 0.0 109.024 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 20.8 mt -59.09 -45.67 90.26 Favored 'General case' 0 CA--C 1.522 -0.116 0 C-N-CA 123.91 0.884 . . . . 0.0 110.155 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 78.6 t -55.04 -57.69 6.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 C-N-CA 125.245 1.418 . . . . 0.0 109.154 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 39.8 mt -63.65 -23.55 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 C-N-CA 123.315 0.646 . . . . 0.0 111.877 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.13 9.18 29.29 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 119.924 1.238 . . . . 0.0 111.2 179.054 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 10.5 m170 56.96 51.7 10.27 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.955 1.302 . . . . 0.0 107.907 -178.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 6.9 m120 69.95 -7.2 0.96 Allowed 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 129.469 3.107 . . . . 0.0 113.295 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -65.64 100.8 0.55 Allowed 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 119.985 1.266 . . . . 0.0 113.004 -177.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 4.7 tp -61.65 -40.77 87.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 124.801 1.24 . . . . 0.0 111.632 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -59.36 -49.77 76.52 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 119.53 1.059 . . . . 0.0 109.601 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 16.2 ttt -64.39 -53.09 53.93 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 126.376 1.87 . . . . 0.0 109.123 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.79 -39.87 68.87 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.473 1.109 . . . . 0.0 111.341 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' LYS . . . . . 0.458 ' HG2' HD21 ' B' ' 16' ' ' LEU . 21.5 mttm -62.34 -40.8 97.59 Favored 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 178.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -61.19 -40.45 93.97 Favored 'General case' 0 C--N 1.339 0.129 0 CA-C-O 118.384 -0.817 . . . . 0.0 109.077 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.518 ' HA ' HD13 ' A' ' 32' ' ' ILE . 8.3 mt -60.55 -57.16 13.22 Favored 'Isoleucine or valine' 0 C--N 1.343 0.32 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 73.7 mt -52.33 -48.74 65.29 Favored 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 124.201 1.0 . . . . 0.0 109.965 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -61.45 -25.47 67.25 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 124.875 1.27 . . . . 0.0 114.174 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.471 ' HG3' HD11 ' A' ' 32' ' ' ILE . 14.6 mm-40 -99.3 -37.9 9.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 119.748 1.158 . . . . 0.0 113.26 -178.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -94.31 -60.39 1.74 Allowed 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 124.739 1.216 . . . . 0.0 111.751 -178.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.541 0.599 0 C-N-CA 123.852 0.861 . . . . 0.0 111.071 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.5 mp . . . . . 0 N--CA 1.458 -0.056 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.2 m -48.41 -49.11 36.32 Favored 'General case' 0 C--N 1.341 0.228 0 C-N-CA 124.797 1.239 . . . . 0.0 110.509 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.8 m -56.28 -37.48 69.9 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.605 1.162 . . . . 0.0 112.528 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -77.23 -28.99 53.9 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 118.966 0.803 . . . . 0.0 110.056 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 98.7 mt -64.2 -45.77 95.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 N-CA-C 104.467 -2.42 . . . . 0.0 104.467 177.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -58.6 -36.56 74.2 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.173 0.989 . . . . 0.0 109.58 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.9 mmt-85 -69.92 -38.18 76.16 Favored 'General case' 0 CA--C 1.518 -0.271 0 O-C-N 121.545 -0.722 . . . . 0.0 110.217 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.1 mt -67.34 -28.75 68.24 Favored 'General case' 0 N--CA 1.454 -0.255 0 O-C-N 121.672 -0.643 . . . . 0.0 109.584 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 17.0 mtt -61.52 -45.37 94.5 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 178.114 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.3 m -62.02 -29.29 70.17 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.929 0.892 . . . . 0.0 112.221 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -72.79 -14.9 61.63 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.615 1.098 . . . . 0.0 112.23 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.91 25.93 5.99 Favored Glycine 0 CA--C 1.527 0.788 0 CA-C-O 118.635 -1.092 . . . . 0.0 114.523 179.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -110.47 154.93 22.94 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 118.464 1.132 . . . . 0.0 111.463 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.7 m -82.62 158.63 22.95 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.895 1.278 . . . . 0.0 109.046 178.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -67.11 -36.66 82.42 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.826 0.85 . . . . 0.0 109.722 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -57.77 -55.51 34.0 Favored 'General case' 0 C--O 1.224 -0.238 0 C-N-CA 124.177 0.991 . . . . 0.0 108.884 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -53.53 -49.06 68.4 Favored 'General case' 0 N--CA 1.461 0.101 0 C-N-CA 124.53 1.132 . . . . 0.0 109.608 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.9 mt -56.24 -49.17 77.78 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 O-C-N 121.779 -0.575 . . . . 0.0 110.005 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 71.2 mm-40 -63.35 -42.8 98.94 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.892 0.877 . . . . 0.0 111.823 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -63.8 -44.33 93.62 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.966 0.803 . . . . 0.0 109.199 179.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.73 -39.13 93.54 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.2 mt -64.22 -50.63 67.26 Favored 'General case' 0 C--N 1.34 0.182 0 CA-C-O 118.473 -0.775 . . . . 0.0 112.075 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.9 p -61.33 -45.81 97.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 119.034 0.833 . . . . 0.0 110.924 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 72.0 mt -67.43 -31.82 54.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.71 10.19 4.31 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 120.93 -1.106 . . . . 0.0 110.288 178.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 34.4 m170 53.66 46.35 26.14 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.202 1.801 . . . . 0.0 109.178 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 72.33 6.43 5.5 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 128.726 2.81 . . . . 0.0 113.968 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -80.14 106.33 12.08 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 120.243 1.383 . . . . 0.0 109.858 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.5 tp -63.21 -41.34 92.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 123.803 0.841 . . . . 0.0 112.362 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -64.22 -46.58 83.25 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 119.637 1.108 . . . . 0.0 110.224 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 14.8 ttt -61.64 -46.86 87.99 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 178.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.59 -39.21 87.25 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 123.304 0.642 . . . . 0.0 111.099 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -58.63 -36.89 74.8 Favored 'General case' 0 C--O 1.234 0.289 0 O-C-N 121.341 -0.85 . . . . 0.0 109.855 178.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -67.76 -41.89 82.61 Favored 'General case' 0 C--N 1.341 0.222 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 64.7 mt -55.15 -54.71 21.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.3 mt -56.12 -44.74 79.43 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.443 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 -61.11 -35.2 76.37 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -103.9 -7.06 20.73 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 114.954 1.465 . . . . 0.0 114.954 -177.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -119.07 -36.64 3.36 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 119.175 0.898 . . . . 0.0 111.686 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.539 0.555 0 C-N-CA 125.21 1.404 . . . . 0.0 110.417 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 11.2 mp . . . . . 0 N--CA 1.467 0.376 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 7.2 p -52.2 -42.97 63.96 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.708 1.603 . . . . 0.0 109.284 177.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 8.9 m -59.63 -34.79 73.24 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 125.378 1.471 . . . . 0.0 110.714 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -78.33 -16.24 57.91 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 121.21 -0.931 . . . . 0.0 111.257 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 76.5 mt -69.08 -42.48 81.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 N-CA-C 104.149 -2.538 . . . . 0.0 104.149 177.021 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -58.81 -43.9 90.69 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 125.023 1.329 . . . . 0.0 109.622 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -63.49 -15.59 58.26 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 118.847 -0.597 . . . . 0.0 112.451 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 39.8 mt -98.45 -29.85 12.88 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 119.265 0.939 . . . . 0.0 108.686 178.246 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 49.7 mtt -58.52 -43.01 89.03 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 118.953 0.797 . . . . 0.0 109.366 178.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.71 6.32 0.5 Allowed 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.813 1.645 . . . . 0.0 114.651 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' GLN . . . . . 0.463 ' HB2' ' CD2' ' B' ' 21' ' ' TYR . 4.6 mm-40 -106.17 -15.3 14.9 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 120.19 -1.569 . . . . 0.0 110.557 178.738 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.52 3.29 53.26 Favored Glycine 0 CA--C 1.532 1.154 0 N-CA-C 110.009 -1.236 . . . . 0.0 110.009 -178.133 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' TYR . . . . . 0.463 ' CD2' ' HB2' ' B' ' 19' ' ' GLN . 45.1 m-85 -83.95 127.72 34.05 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 104.111 -2.551 . . . . 0.0 104.111 178.282 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 50.7 m -77.63 156.74 30.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 119.289 0.95 . . . . 0.0 111.567 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -51.05 -41.11 59.67 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 126.154 1.782 . . . . 0.0 111.589 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -55.86 -53.98 50.13 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 123.944 0.778 . . . . 0.0 110.187 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ASP . . . . . 0.432 ' HA ' ' HE3' ' B' ' 28' ' ' LYS . 39.0 m-20 -58.73 -47.77 83.46 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.629 0.772 . . . . 0.0 109.532 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 40.1 mt -55.02 -48.16 76.14 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -61.88 -46.71 88.21 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.899 1.28 . . . . 0.0 109.947 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.432 ' HE3' ' HA ' ' B' ' 25' ' ' ASP . 7.7 mtmp? -56.6 -42.78 79.31 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 121.085 -1.009 . . . . 0.0 109.542 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.91 -44.38 77.07 Favored 'General case' 0 N--CA 1.452 -0.355 0 O-C-N 121.329 -0.857 . . . . 0.0 110.591 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 41.7 mt -58.19 -50.27 74.11 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 119.368 0.985 . . . . 0.0 112.004 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 9.3 p -61.18 -28.95 44.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 CA-C-N 118.403 0.547 . . . . 0.0 112.348 -179.246 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 86.4 mt -89.63 -23.65 6.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 O-C-N 121.264 -0.897 . . . . 0.0 110.013 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.22 10.13 28.4 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 120.514 -1.366 . . . . 0.0 111.254 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 12.6 m170 53.74 46.93 24.85 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 122.846 1.308 . . . . 0.0 108.841 -178.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 64.89 5.27 2.79 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 127.119 2.168 . . . . 0.0 112.687 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -70.94 99.88 1.86 Allowed 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 6.7 tp -58.01 -39.0 70.22 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 C-N-CA 125.169 1.388 . . . . 0.0 112.549 -179.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -69.38 -46.36 67.12 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.528 -0.732 . . . . 0.0 110.454 -179.081 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 16.4 ttt -61.05 -46.55 90.25 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.38 -45.68 92.68 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 123.654 0.782 . . . . 0.0 109.945 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 19.9 mttm -53.63 -39.44 64.98 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 119.207 0.912 . . . . 0.0 109.009 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -69.1 -44.1 73.17 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 118.617 -0.706 . . . . 0.0 110.418 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 71.7 mt -56.29 -51.55 62.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 CA-C-O 122.846 1.308 . . . . 0.0 107.732 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 24.3 mt -59.03 -21.93 59.87 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 125.052 1.341 . . . . 0.0 112.406 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -93.54 -12.45 29.56 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-O 117.047 -1.454 . . . . 0.0 112.915 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -119.58 -6.71 10.19 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 120.693 1.588 . . . . 0.0 113.658 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -118.41 -64.08 1.33 Allowed 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 104.716 -2.328 . . . . 0.0 104.716 178.345 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.549 0.938 0 C-N-CA 123.405 0.682 . . . . 0.0 109.28 177.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 CA--C 1.536 0.43 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.0 m -48.68 -56.63 7.99 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 125.024 1.33 . . . . 0.0 112.902 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -60.0 -20.95 60.48 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.653 1.181 . . . . 0.0 113.878 -179.058 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -86.38 -22.97 26.33 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 119.307 0.958 . . . . 0.0 109.554 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.8 mt -61.47 -47.59 92.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 N-CA-C 106.127 -1.805 . . . . 0.0 106.127 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -57.57 -37.41 73.12 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 126.514 1.925 . . . . 0.0 111.151 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -70.32 -37.6 74.77 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.2 mt -69.55 -29.37 66.93 Favored 'General case' 0 C--N 1.337 0.031 0 C-N-CA 124.401 1.081 . . . . 0.0 111.959 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 39.5 mtt -59.62 -29.71 68.2 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 120.012 1.278 . . . . 0.0 111.242 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.0 m -64.7 -23.79 67.36 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 118.517 0.599 . . . . 0.0 111.403 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -85.51 -1.37 57.01 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.382 1.073 . . . . 0.0 111.453 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.45 -15.39 60.09 Favored Glycine 0 CA--C 1.525 0.665 0 C-N-CA 125.507 1.527 . . . . 0.0 114.643 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -58.64 123.46 16.4 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 118.693 1.246 . . . . 0.0 111.226 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.8 m -64.92 143.8 57.71 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.033 0.933 . . . . 0.0 108.818 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -52.01 -45.13 64.44 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 123.634 0.774 . . . . 0.0 111.3 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -59.18 -47.01 86.88 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 117.524 0.147 . . . . 0.0 111.308 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -59.71 -42.59 93.41 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 121.154 -0.966 . . . . 0.0 109.743 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.3 mt -60.4 -41.55 87.79 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -63.05 -50.82 69.11 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.104 0.962 . . . . 0.0 110.098 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.8 mttp -57.53 -45.66 84.78 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.129 0.972 . . . . 0.0 109.753 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.17 -43.42 95.83 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 118.619 -0.705 . . . . 0.0 110.613 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 28.6 mt -62.69 -51.67 66.29 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 119.19 0.905 . . . . 0.0 112.902 -179.01 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.2 p -57.45 -47.58 84.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 118.121 0.419 . . . . 0.0 110.785 -178.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 72.6 mt -65.77 -38.56 82.52 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.04 7.18 3.45 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 60.02 48.98 8.03 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 119.92 1.237 . . . . 0.0 108.375 -178.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 48.2 55.97 8.04 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 127.057 2.143 . . . . 0.0 109.73 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -125.07 105.3 9.07 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 123.986 0.914 . . . . 0.0 109.129 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.55 HG13 ' HE3' ' A' ' 41' ' ' LYS . 5.7 tp -61.29 -42.05 92.07 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.329 0 C-N-CA 122.84 0.456 . . . . 0.0 110.923 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -65.12 -18.76 65.57 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 125.355 1.462 . . . . 0.0 113.976 -177.2 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 14.9 ttt -98.53 -47.67 5.29 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 106.498 -1.667 . . . . 0.0 106.498 179.075 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.01 -38.77 80.01 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.68 0.792 . . . . 0.0 111.08 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.55 ' HE3' HG13 ' A' ' 37' ' ' ILE . 83.1 mttt -57.77 -41.07 81.27 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 123.99 0.916 . . . . 0.0 109.041 178.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -64.49 -45.83 85.63 Favored 'General case' 0 C--O 1.227 -0.111 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.557 ' HA ' HD13 ' B' ' 32' ' ' ILE . 25.9 mt -56.96 -48.55 81.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.3 mt -61.3 -30.93 70.79 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 123.021 0.528 . . . . 0.0 111.42 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -71.84 -37.18 70.32 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 123.349 0.66 . . . . 0.0 111.549 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.494 ' HG3' HD11 ' B' ' 32' ' ' ILE . 47.7 mm-40 -90.15 -55.7 3.51 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 -178.176 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -83.25 -10.71 58.4 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -178.028 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 C--N 1.324 -0.541 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 -179.864 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 CA--C 1.538 0.488 0 CA-C-O 121.097 0.475 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 3.4 p -62.54 -45.83 91.16 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 126.827 2.051 . . . . 0.0 112.277 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 49.4 m -66.31 -24.74 66.59 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.869 0.759 . . . . 0.0 109.292 178.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -76.58 -17.04 59.42 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 118.518 -0.753 . . . . 0.0 109.582 178.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 74.4 mt -65.52 -46.57 89.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 N-CA-C 104.971 -2.233 . . . . 0.0 104.971 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -56.66 -40.01 74.75 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.155 0.582 . . . . 0.0 111.282 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -58.03 -30.52 66.19 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.796 -0.565 . . . . 0.0 110.649 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.411 HD21 ' HE2' ' B' ' 41' ' ' LYS . 67.5 mt -87.96 -26.54 22.62 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 124.722 1.209 . . . . 0.0 110.863 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 34.8 mtt -62.76 -31.75 72.76 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 50.2 m -64.01 -13.48 46.99 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.744 1.218 . . . . 0.0 111.308 177.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -98.05 -15.26 20.1 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.151 1.38 . . . . 0.0 109.946 178.444 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.29 -2.45 61.14 Favored Glycine 0 CA--C 1.532 1.129 0 C-N-CA 126.611 2.053 . . . . 0.0 114.343 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -57.49 139.13 54.14 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 120.206 2.003 . . . . 0.0 109.451 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.4 m -66.68 145.55 55.44 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 122.501 0.32 . . . . 0.0 110.773 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -55.08 -46.96 75.49 Favored 'General case' 0 C--N 1.333 -0.109 0 C-N-CA 123.901 0.88 . . . . 0.0 109.078 179.016 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -58.03 -45.13 87.44 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 123.613 0.765 . . . . 0.0 110.006 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -62.14 -45.43 93.47 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 123.851 0.86 . . . . 0.0 109.562 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 47.0 mt -61.44 -44.98 99.49 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -61.13 -45.3 95.24 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.815 1.246 . . . . 0.0 110.013 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 41.7 mttt -59.55 -47.35 85.9 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 120.919 -1.113 . . . . 0.0 108.27 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.76 -43.65 94.2 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 119.01 -0.519 . . . . 0.0 109.931 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 30.9 mt -62.77 -53.51 53.24 Favored 'General case' 0 C--N 1.34 0.179 0 CA-C-O 118.393 -0.813 . . . . 0.0 111.658 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 5.4 p -59.72 -42.83 89.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-N 119.418 1.008 . . . . 0.0 111.555 -178.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.557 HD13 ' HA ' ' A' ' 43' ' ' ILE . 63.9 mt -68.72 -32.44 54.97 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 O-C-N 121.617 -0.677 . . . . 0.0 109.633 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.6 10.39 13.38 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 123.978 0.911 . . . . 0.0 112.354 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 56.07 40.54 30.24 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 124.824 1.25 . . . . 0.0 110.32 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 74.18 6.19 4.7 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 128.043 2.537 . . . . 0.0 112.913 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -75.2 99.32 3.97 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 119.696 1.135 . . . . 0.0 108.809 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 6.1 tp -55.71 -40.21 59.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 124.881 1.272 . . . . 0.0 112.399 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -64.46 -48.61 74.6 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 125.159 1.383 . . . . 0.0 110.129 -177.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 6.7 ttt -65.46 -46.21 80.7 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 178.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.97 -42.91 86.04 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.36 1.064 . . . . 0.0 110.771 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' LYS . . . . . 0.411 ' HE2' HD21 ' B' ' 16' ' ' LEU . 18.8 mttt -59.05 -43.77 91.72 Favored 'General case' 0 CA--C 1.517 -0.316 0 O-C-N 121.642 -0.662 . . . . 0.0 109.231 178.498 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -60.65 -37.65 82.25 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 118.59 -0.719 . . . . 0.0 109.559 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 67.3 mt -60.58 -54.87 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 178.013 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 68.6 mt -62.38 -6.27 3.14 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.993 1.317 . . . . 0.0 112.521 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -96.66 -21.11 17.81 Favored 'General case' 0 C--N 1.338 0.072 0 O-C-N 120.703 -1.248 . . . . 0.0 112.181 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -124.43 -6.98 7.54 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -178.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -115.1 -74.39 0.61 Allowed 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 178.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 18.8 m . . . . . 0 CA--C 1.543 0.697 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 177.668 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.0 tt . . . . . 0 CA--C 1.531 0.243 0 N-CA-C 110.675 -0.12 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.9 p -54.69 -40.43 69.15 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.811 0.844 . . . . 0.0 110.822 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.8 m -74.78 -5.98 46.41 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.542 1.537 . . . . 0.0 112.671 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -98.1 -31.78 11.95 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 178.042 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.4 mt -61.63 -48.1 90.3 Favored 'Isoleucine or valine' 0 C--N 1.342 0.276 0 N-CA-C 105.589 -2.004 . . . . 0.0 105.589 177.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -60.18 -30.95 69.68 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.339 0.656 . . . . 0.0 110.893 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -77.12 -33.36 56.83 Favored 'General case' 0 CA--C 1.52 -0.203 0 O-C-N 121.26 -0.9 . . . . 0.0 109.717 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.7 mt -69.62 -31.92 70.33 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 178.588 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 48.1 mtt -60.56 -32.95 72.0 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 119.145 0.884 . . . . 0.0 110.052 178.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.1 m -59.35 -26.52 65.13 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.925 1.29 . . . . 0.0 111.659 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -78.26 -9.54 59.27 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.254 0.621 . . . . 0.0 111.238 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.09 2.61 48.53 Favored Glycine 0 C--N 1.335 0.512 0 C-N-CA 125.278 1.418 . . . . 0.0 113.517 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -76.55 132.14 39.35 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 118.506 1.153 . . . . 0.0 109.26 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.8 m -75.96 158.17 32.27 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -51.31 -39.7 57.46 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 118.835 -0.603 . . . . 0.0 111.644 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -57.92 -48.3 80.3 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.409 0.684 . . . . 0.0 111.108 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -61.42 -48.42 81.26 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 125.46 1.504 . . . . 0.0 110.045 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.4 mt -61.26 -47.13 94.92 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 O-C-N 121.407 -0.808 . . . . 0.0 109.275 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -58.52 -49.93 75.6 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.564 1.546 . . . . 0.0 109.656 178.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -52.64 -47.51 67.03 Favored 'General case' 0 C--N 1.344 0.359 0 CA-C-N 120.018 1.281 . . . . 0.0 110.628 178.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.42 -38.65 81.17 Favored 'General case' 0 C--O 1.226 -0.142 0 CA-C-O 118.716 -0.659 . . . . 0.0 110.802 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 62.2 mt -66.75 -57.14 7.69 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 118.92 0.782 . . . . 0.0 110.15 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.1 p -57.63 -41.5 79.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 118.877 0.762 . . . . 0.0 111.299 -178.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 95.2 mt -68.23 -25.58 31.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 O-C-N 121.618 -0.677 . . . . 0.0 110.188 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.44 12.97 20.99 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.065 1.346 . . . . 0.0 110.611 178.357 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 15.0 m170 59.62 27.49 16.72 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.081 1.753 . . . . 0.0 111.024 -178.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 88.32 0.58 0.39 Allowed 'General case' 0 N--CA 1.464 0.255 1 C-N-CA 132.24 4.216 . . . . 0.0 113.202 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -65.32 110.32 2.58 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.76 1.164 . . . . 0.0 110.663 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.1 tp -65.88 -38.47 82.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -68.15 -38.85 82.58 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.331 -0.856 . . . . 0.0 110.813 -178.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 22.1 ttt -69.99 -49.82 47.75 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.34 -39.02 75.04 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.12 0.968 . . . . 0.0 111.207 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -58.17 -45.53 87.34 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 178.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -62.75 -34.54 77.42 Favored 'General case' 0 CA--C 1.527 0.06 0 CA-C-O 118.523 -0.751 . . . . 0.0 111.155 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 57.0 mt -58.54 -53.37 47.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 105.499 -2.037 . . . . 0.0 105.499 178.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 64.7 mt -73.53 27.88 0.07 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 127.05 2.14 . . . . 0.0 111.296 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -135.03 -20.49 1.69 Allowed 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 125.292 1.437 . . . . 0.0 112.575 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -122.43 -6.24 8.74 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.08 0.952 . . . . 0.0 111.373 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -119.88 -90.89 0.57 Allowed 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.446 -0.64 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 7.9 tt . . . . . 0 N--CA 1.47 0.568 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.42 -43.27 93.08 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 125.642 1.577 . . . . 0.0 110.733 178.287 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 75.0 m -70.18 -40.85 74.43 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.173 0.989 . . . . 0.0 109.336 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -59.19 -38.13 79.1 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.368 1.067 . . . . 0.0 110.503 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 54.8 mt -59.25 -40.42 81.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 178.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -72.53 -32.25 65.95 Favored 'General case' 0 N--CA 1.457 -0.106 0 O-C-N 121.485 -0.76 . . . . 0.0 110.581 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 37.8 mtp85 -63.82 -24.02 67.59 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 119.03 0.832 . . . . 0.0 109.552 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 16.5 mt -82.93 -33.09 26.87 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 124.772 1.229 . . . . 0.0 110.3 178.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 52.8 mtt -51.41 -42.43 61.45 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.938 1.245 . . . . 0.0 110.844 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 24.4 m -56.49 -12.54 1.78 Allowed 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 -86.34 1.07 52.44 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 120.24 1.382 . . . . 0.0 110.403 178.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.82 3.91 58.04 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 126.387 1.946 . . . . 0.0 110.85 -178.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 17.5 m-30 -72.87 147.74 45.09 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 126.766 2.026 . . . . 0.0 112.331 -179.048 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 16.5 m -99.06 152.79 19.45 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -53.58 -38.97 64.43 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 114.441 1.274 . . . . 0.0 114.441 -178.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -65.1 -41.83 94.57 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 119.288 0.949 . . . . 0.0 111.272 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -55.96 -48.3 76.03 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 48.2 mt -62.39 -47.69 91.86 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -58.79 -43.76 90.54 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 118.405 -0.807 . . . . 0.0 111.586 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -58.99 -49.2 78.78 Favored 'General case' 0 CA--C 1.526 0.054 0 CA-C-N 119.395 0.998 . . . . 0.0 108.876 178.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.83 -41.08 90.56 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 118.791 0.723 . . . . 0.0 110.041 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 20.4 mt -63.22 -55.09 27.87 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 118.401 -0.809 . . . . 0.0 111.164 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 10.0 p -59.93 -43.69 92.83 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-N 119.15 0.886 . . . . 0.0 111.337 -179.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 77.7 mt -65.36 -31.0 51.95 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.47 11.41 7.02 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.347 1.059 . . . . 0.0 111.323 178.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 19.3 m170 63.9 26.57 14.27 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.485 1.514 . . . . 0.0 110.72 -178.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 83.15 5.62 0.84 Allowed 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 131.435 3.894 . . . . 0.0 112.465 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -72.73 107.71 5.33 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.558 -0.714 . . . . 0.0 109.461 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 8.0 tp -61.05 -38.89 80.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 123.987 0.915 . . . . 0.0 113.069 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -68.03 -45.58 73.58 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 119.849 1.204 . . . . 0.0 109.956 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 17.7 ttt -62.84 -44.83 95.1 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.88 -45.81 92.16 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.533 0.733 . . . . 0.0 109.138 178.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -53.96 -38.21 64.75 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 118.082 -0.961 . . . . 0.0 109.731 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 -63.74 -44.66 92.84 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 119.091 0.86 . . . . 0.0 109.415 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 46.0 mt -57.09 -49.71 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 179.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 64.2 mt -73.7 27.32 0.07 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.697 1.999 . . . . 0.0 112.735 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -141.12 -36.61 0.45 Allowed 'General case' 0 C--O 1.235 0.309 0 C-N-CA 126.294 1.837 . . . . 0.0 110.282 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -100.47 -15.26 17.96 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 118.82 0.736 . . . . 0.0 111.978 -179.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -116.83 -75.22 0.58 Allowed 'General case' 0 C--N 1.341 0.22 0 C-N-CA 125.531 1.532 . . . . 0.0 109.629 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 3.5 t . . . . . 0 C--O 1.239 0.501 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 -179.589 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.3 mp . . . . . 0 N--CA 1.452 -0.365 0 CA-C-O 117.882 -1.056 . . . . 0.0 109.533 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.5 m -57.35 -41.34 79.91 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 120.008 1.276 . . . . 0.0 111.005 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.8 m -67.5 -26.18 66.22 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 117.995 0.361 . . . . 0.0 110.48 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -78.94 -30.74 44.82 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 121.221 -0.925 . . . . 0.0 108.97 178.382 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.416 HG23 HG21 ' A' ' 26' ' ' ILE . 96.6 mt -62.15 -42.48 95.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 104.845 -2.28 . . . . 0.0 104.845 177.765 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -63.32 -37.47 87.4 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.399 0.679 . . . . 0.0 110.036 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -68.17 -35.17 77.63 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.5 mt -69.98 -44.57 69.15 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 123.86 0.864 . . . . 0.0 108.781 178.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.8 mtt -55.1 -33.65 63.0 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.055 0.843 . . . . 0.0 110.273 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.98 -36.57 68.02 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.927 1.291 . . . . 0.0 111.627 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -76.0 -10.8 59.71 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.725 0.81 . . . . 0.0 112.584 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.78 -11.12 38.3 Favored Glycine 0 CA--C 1.526 0.724 0 C-N-CA 125.355 1.455 . . . . 0.0 111.334 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -51.33 127.08 18.72 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 117.893 0.847 . . . . 0.0 109.521 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.5 m -72.17 145.26 48.19 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 121.245 0.545 . . . . 0.0 110.319 -179.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -56.17 -44.88 79.78 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 125.067 1.347 . . . . 0.0 111.229 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -53.94 -45.76 71.36 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 118.149 0.431 . . . . 0.0 109.888 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -65.62 -47.85 74.26 Favored 'General case' 0 CA--C 1.519 -0.231 0 C-N-CA 123.84 0.856 . . . . 0.0 110.551 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.416 HG21 HG23 ' A' ' 13' ' ' ILE . 59.0 mt -56.19 -46.58 81.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-N 118.58 0.627 . . . . 0.0 109.808 -179.529 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -63.62 -46.07 87.39 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.705 0.802 . . . . 0.0 111.016 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -60.43 -46.79 88.75 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.67 0.668 . . . . 0.0 109.36 179.008 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.79 -43.53 85.67 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 118.597 -0.716 . . . . 0.0 109.938 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.1 mt -63.1 -51.24 67.35 Favored 'General case' 0 CA--C 1.521 -0.161 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.6 p -61.38 -43.44 96.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-N 118.262 0.483 . . . . 0.0 111.159 -178.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 62.3 mt -71.13 -33.6 51.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 O-C-N 121.767 -0.583 . . . . 0.0 110.175 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.09 9.5 1.95 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.756 0.707 . . . . 0.0 110.892 178.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.1 m170 57.54 50.92 10.32 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.834 1.654 . . . . 0.0 108.454 -178.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.6 m120 53.09 46.4 26.75 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 126.843 2.057 . . . . 0.0 113.027 179.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -121.48 114.6 21.48 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 124.776 1.23 . . . . 0.0 107.94 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.2 tp -65.18 -40.94 90.39 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 124.172 0.989 . . . . 0.0 112.937 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -67.6 -43.21 81.05 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.864 1.211 . . . . 0.0 110.779 -179.422 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 8.2 ttt -65.71 -42.8 90.71 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.96 -39.5 90.46 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.2 0.6 . . . . 0.0 111.258 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -55.42 -44.27 76.08 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -60.85 -41.62 96.21 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-O 118.671 -0.68 . . . . 0.0 110.737 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 69.2 mt -58.36 -51.58 69.6 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.7 mt -64.17 -22.9 67.12 Favored 'General case' 0 C--O 1.224 -0.276 0 C-N-CA 123.053 0.541 . . . . 0.0 111.97 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -78.6 -19.69 52.15 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 119.472 1.033 . . . . 0.0 111.841 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -114.52 -49.2 2.83 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -178.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -83.76 -13.2 54.49 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 119.211 0.914 . . . . 0.0 113.084 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.9 t . . . . . 0 N--CA 1.448 -0.56 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 178.639 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 9.8 mp . . . . . 0 CA--C 1.53 0.182 0 CA-C-O 118.648 -0.691 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 16.4 m -62.09 -37.29 84.52 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 119.655 1.116 . . . . 0.0 108.499 178.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 22.2 m -66.49 -35.65 80.8 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.245 1.018 . . . . 0.0 109.522 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -67.46 -29.9 69.47 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 120.884 -1.135 . . . . 0.0 111.453 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.9 mt -62.8 -41.43 92.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 107.054 -1.462 . . . . 0.0 107.054 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -65.08 -41.4 95.06 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 124.099 0.96 . . . . 0.0 110.203 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 24.8 mtm180 -63.68 -30.36 71.47 Favored 'General case' 0 C--N 1.342 0.269 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 13.5 mt -77.11 -39.85 47.99 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-O 118.144 -0.932 . . . . 0.0 109.13 178.028 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 38.5 mtt -54.94 -42.15 71.93 Favored 'General case' 0 C--N 1.339 0.142 0 CA-C-N 119.537 1.062 . . . . 0.0 109.352 178.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 32.4 t -56.9 -16.34 6.61 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.661 1.184 . . . . 0.0 112.497 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -95.31 1.89 54.56 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 120.29 1.405 . . . . 0.0 112.876 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.93 -11.69 64.18 Favored Glycine 0 CA--C 1.522 0.513 0 C-N-CA 125.27 1.414 . . . . 0.0 113.102 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -61.06 125.08 22.41 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.64 152.33 42.53 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 123.759 0.823 . . . . 0.0 109.854 -179.448 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -53.76 -42.35 68.12 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 178.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -62.06 -44.64 96.24 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 118.986 -0.53 . . . . 0.0 111.02 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -56.49 -48.93 76.12 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 124.292 1.037 . . . . 0.0 108.551 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 54.9 mt -60.28 -51.68 70.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 C-N-CA 124.239 1.016 . . . . 0.0 110.48 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -63.99 -40.76 97.1 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.226 0.61 . . . . 0.0 111.644 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -63.62 -41.41 98.28 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 121.345 -0.847 . . . . 0.0 108.932 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.27 -40.37 90.08 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 121.444 -0.785 . . . . 0.0 110.083 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 18.8 mt -62.69 -50.19 72.15 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 118.925 0.784 . . . . 0.0 112.835 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 7.9 p -59.26 -35.66 59.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 118.477 0.58 . . . . 0.0 111.313 -178.535 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 64.2 mt -79.76 -22.4 12.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 O-C-N 121.648 -0.658 . . . . 0.0 110.762 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.45 16.16 14.17 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 120.685 -1.26 . . . . 0.0 111.523 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 53.5 m170 52.97 44.39 30.49 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 122.334 1.064 . . . . 0.0 109.524 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 4.3 m120 66.67 2.87 2.72 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 127.17 2.188 . . . . 0.0 113.346 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -73.57 110.08 7.58 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 119.967 1.258 . . . . 0.0 109.587 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 5.2 tp -59.18 -47.42 90.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 124.291 1.036 . . . . 0.0 112.524 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -60.34 -48.57 81.19 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 118.913 0.779 . . . . 0.0 110.755 -178.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 18.7 ttt -60.69 -46.7 89.38 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.82 94.49 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.305 0.642 . . . . 0.0 111.605 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -57.36 -40.28 77.75 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.543 0.737 . . . . 0.0 109.971 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -62.47 -40.01 95.26 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 118.766 -0.635 . . . . 0.0 109.818 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 35.5 mt -60.29 -50.88 78.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 179.221 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 70.4 mt -60.82 -20.18 61.16 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.012 0.925 . . . . 0.0 112.545 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -87.25 -17.3 32.87 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.487 1.04 . . . . 0.0 113.099 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -120.26 -17.83 8.16 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -110.2 -57.22 2.23 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 7.1 t . . . . . 0 CA--C 1.541 0.6 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.829 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.1 mp . . . . . 0 N--CA 1.465 0.324 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.401 ' HA ' HD12 ' A' ' 13' ' ' ILE . 1.5 m -56.77 -36.72 70.16 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 125.52 1.528 . . . . 0.0 110.168 178.207 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.9 m -73.41 -22.45 60.23 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 125.681 1.592 . . . . 0.0 111.779 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -81.63 -33.18 31.58 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.106 0.962 . . . . 0.0 108.773 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.427 HG23 HG21 ' A' ' 26' ' ' ILE . 80.9 mt -57.87 -42.09 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 178.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -60.66 -41.35 94.84 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.426 1.09 . . . . 0.0 110.231 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.8 mtm180 -71.72 -29.65 64.78 Favored 'General case' 0 C--N 1.341 0.228 0 O-C-N 121.742 -0.599 . . . . 0.0 110.464 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 26.2 mt -68.05 -34.03 75.68 Favored 'General case' 0 C--N 1.333 -0.142 0 O-C-N 121.407 -0.808 . . . . 0.0 110.255 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 50.8 mtt -60.78 -31.41 70.77 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.733 0.697 . . . . 0.0 109.972 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -67.87 -17.47 64.5 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.99 1.316 . . . . 0.0 111.51 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -93.89 -0.51 55.65 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.64 1.176 . . . . 0.0 110.964 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.8 -5.89 73.24 Favored Glycine 0 CA--C 1.527 0.787 0 CA-C-O 117.26 -1.855 . . . . 0.0 116.257 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -71.51 150.01 45.24 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 120.457 2.128 . . . . 0.0 110.326 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 63.2 m -78.83 160.91 27.13 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 178.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -60.69 -39.67 89.34 Favored 'General case' 0 N--CA 1.456 -0.161 0 O-C-N 121.411 -0.805 . . . . 0.0 109.614 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -60.04 -45.47 92.72 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 118.313 -0.851 . . . . 0.0 110.717 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -58.13 -47.31 83.71 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.427 HG21 HG23 ' A' ' 13' ' ' ILE . 60.7 mt -57.26 -53.45 43.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 C-N-CA 122.994 0.518 . . . . 0.0 109.998 -179.37 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.4 mm100 -61.07 -55.44 32.55 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 118.75 -0.643 . . . . 0.0 110.992 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -49.33 -42.82 42.81 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 124.092 0.957 . . . . 0.0 111.651 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.16 -41.3 77.42 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-O 119.086 -0.483 . . . . 0.0 110.363 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.4 mt -61.01 -45.93 92.82 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 118.706 -0.664 . . . . 0.0 110.9 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.7 t -59.44 -54.08 39.38 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 118.497 0.59 . . . . 0.0 109.656 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.406 HD11 ' HG3' ' B' ' 46' ' ' GLU . 38.3 mt -62.98 -25.39 38.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-O 119.351 -0.357 . . . . 0.0 110.969 -179.067 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.22 10.27 15.14 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.734 1.152 . . . . 0.0 111.624 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 14.9 m170 58.71 37.97 25.04 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.523 1.529 . . . . 0.0 110.291 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.1 m120 85.09 -3.32 0.9 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 129.528 3.131 . . . . 0.0 113.362 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 57.2 t-20 -73.79 108.69 6.77 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 120.113 1.324 . . . . 0.0 113.348 -178.271 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.0 tp -64.8 -39.79 86.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.735 1.214 . . . . 0.0 113.225 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.4 -41.57 89.13 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 125.077 1.351 . . . . 0.0 111.084 -177.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 15.1 ttt -68.29 -48.45 64.95 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 178.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.68 -38.21 74.75 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 123.213 0.605 . . . . 0.0 110.013 178.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.2 mttt -59.58 -47.32 86.01 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 178.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -57.52 -41.13 80.27 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 59.2 mt -58.96 -55.1 25.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 179.04 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 90.3 mt -60.58 -17.39 46.13 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.66 0.784 . . . . 0.0 112.631 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -87.12 -39.36 15.61 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-O 118.195 -0.907 . . . . 0.0 112.865 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -96.18 -13.24 23.66 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -110.65 -75.83 0.61 Allowed 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 CA--C 1.542 0.667 0 C-N-CA 125.791 1.636 . . . . 0.0 110.074 179.78 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 8.7 mp . . . . . 0 CA--C 1.53 0.211 0 CA-C-O 118.988 -0.53 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 1.4 p -56.13 -49.3 74.31 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.932 0.893 . . . . 0.0 110.665 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 12.0 m -60.35 -32.73 71.54 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.99 0.916 . . . . 0.0 111.112 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -71.25 -36.74 71.89 Favored 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 120.766 -1.209 . . . . 0.0 110.225 -179.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 80.3 mt -64.25 -47.82 88.19 Favored 'Isoleucine or valine' 0 C--N 1.34 0.161 0 N-CA-C 106.395 -1.706 . . . . 0.0 106.395 178.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -60.14 -36.36 77.36 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 48.2 mtm180 -72.68 -31.87 65.38 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.882 0.765 . . . . 0.0 110.411 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.429 HD21 ' HG2' ' B' ' 41' ' ' LYS . 31.6 mt -71.13 -27.84 63.86 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 118.302 -0.856 . . . . 0.0 111.978 179.584 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 62.3 mtt -58.58 -37.01 74.89 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.776 1.171 . . . . 0.0 109.72 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 38.7 t -61.59 -30.73 70.87 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.611 1.165 . . . . 0.0 111.128 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -74.14 -7.98 54.53 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 118.185 -0.912 . . . . 0.0 112.942 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.84 -1.03 55.24 Favored Glycine 0 C--N 1.339 0.702 0 C-N-CA 125.357 1.456 . . . . 0.0 113.498 178.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -78.78 121.91 25.36 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 6.6 m -64.96 153.82 39.41 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -54.69 -38.7 67.33 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 121.703 -0.623 . . . . 0.0 112.188 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -57.87 -50.9 71.75 Favored 'General case' 0 C--O 1.223 -0.292 0 C-N-CA 123.304 0.641 . . . . 0.0 110.719 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.38 -46.96 87.23 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 124.608 1.163 . . . . 0.0 110.578 -179.319 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 44.5 mt -58.96 -48.53 86.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -60.9 -55.86 28.01 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.978 0.911 . . . . 0.0 110.595 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -52.62 -40.7 63.0 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 124.601 1.16 . . . . 0.0 110.724 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.84 -34.42 77.9 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 118.572 -0.728 . . . . 0.0 110.586 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 71.1 mt -67.98 -45.28 74.61 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 119.995 1.27 . . . . 0.0 111.112 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 22.4 t -53.54 -41.02 44.16 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-O 121.521 0.677 . . . . 0.0 110.088 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 27.4 mt -84.45 -37.01 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 C-N-CA 124.6 1.16 . . . . 0.0 112.527 -178.047 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.43 0.45 25.73 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.813 1.188 . . . . 0.0 112.227 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 26.6 m170 61.02 53.68 3.61 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 125.806 1.642 . . . . 0.0 107.52 -178.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 57.51 14.25 2.21 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 129.109 2.964 . . . . 0.0 113.624 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -77.72 105.86 9.16 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 5.8 tp -58.66 -45.1 90.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 C-N-CA 123.584 0.754 . . . . 0.0 111.147 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -62.33 -50.85 69.98 Favored 'General case' 0 C--N 1.335 -0.045 0 CA-C-N 119.497 1.044 . . . . 0.0 111.79 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 17.4 ttt -58.35 -45.45 88.15 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 124.18 0.992 . . . . 0.0 108.388 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.99 97.8 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 123.12 0.568 . . . . 0.0 110.096 179.049 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' LYS . . . . . 0.429 ' HG2' HD21 ' B' ' 16' ' ' LEU . 56.4 mttt -61.61 -38.2 86.74 Favored 'General case' 0 CA--C 1.517 -0.325 0 O-C-N 121.597 -0.689 . . . . 0.0 110.626 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -62.55 -38.7 91.06 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.705 0.802 . . . . 0.0 109.094 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 86.9 mt -60.28 -48.54 87.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 47.8 mt -71.98 14.58 0.2 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.957 1.303 . . . . 0.0 111.76 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -131.5 10.33 4.78 Favored 'General case' 0 N--CA 1.462 0.157 0 O-C-N 120.435 -1.416 . . . . 0.0 112.028 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.406 ' HG3' HD11 ' A' ' 32' ' ' ILE . 53.3 mm-40 -137.46 -47.34 0.56 Allowed 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 126.475 1.91 . . . . 0.0 108.721 179.074 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -87.87 -80.05 0.28 Allowed 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 107.713 -1.218 . . . . 0.0 107.713 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 58.1 m . . . . . 0 CA--C 1.536 0.405 0 C-N-CA 123.612 0.765 . . . . 0.0 110.866 179.447 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 tp . . . . . 0 N--CA 1.469 0.522 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.4 p -63.03 -10.65 14.9 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.9 m -66.39 -31.48 72.28 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 177.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -76.25 -24.15 54.53 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.045 0.938 . . . . 0.0 110.841 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.37 -42.93 97.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -62.68 -30.27 71.27 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.316 0.647 . . . . 0.0 109.884 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -79.05 -34.16 44.03 Favored 'General case' 0 N--CA 1.462 0.138 0 O-C-N 121.176 -0.953 . . . . 0.0 109.202 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.408 HD21 ' HG2' ' A' ' 41' ' ' LYS . 61.6 mt -71.12 -29.08 64.81 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 118.369 -0.824 . . . . 0.0 110.208 179.15 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 35.7 mtt -58.36 -44.7 88.95 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.4 t -62.12 -23.87 66.8 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.508 1.123 . . . . 0.0 111.411 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -75.17 -3.91 35.73 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 120.198 1.363 . . . . 0.0 111.01 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.62 0.3 60.87 Favored Glycine 0 C--N 1.336 0.529 0 C-N-CA 124.942 1.258 . . . . 0.0 112.984 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -81.17 130.97 35.26 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 118.627 1.213 . . . . 0.0 108.074 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.5 m -70.69 154.3 41.99 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 178.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -53.52 -35.2 60.41 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 124.265 1.026 . . . . 0.0 111.576 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -60.29 -53.8 53.3 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.461 1.104 . . . . 0.0 109.45 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.94 -51.34 70.06 Favored 'General case' 0 N--CA 1.462 0.136 0 C-N-CA 124.526 1.13 . . . . 0.0 109.035 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.6 mt -55.01 -49.06 74.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 C-N-CA 122.834 0.454 . . . . 0.0 110.167 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.5 mm100 -60.51 -55.1 37.54 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 118.607 -0.711 . . . . 0.0 109.959 179.27 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -49.9 -44.94 50.35 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 119.056 0.844 . . . . 0.0 110.987 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.8 -40.71 96.16 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 118.891 -0.576 . . . . 0.0 110.154 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.6 mt -64.05 -52.42 59.5 Favored 'General case' 0 C--O 1.226 -0.146 0 CA-C-N 118.814 0.734 . . . . 0.0 110.031 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.2 t -56.17 -44.72 79.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 118.695 0.68 . . . . 0.0 111.48 -179.047 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 72.8 mt -73.01 -26.95 23.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 O-C-N 121.42 -0.8 . . . . 0.0 111.151 -179.014 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.96 12.62 19.05 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 120.928 -1.107 . . . . 0.0 111.251 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 55.6 m170 53.37 48.96 20.75 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 123.469 1.604 . . . . 0.0 109.694 -178.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.8 m120 60.26 9.64 2.02 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 129.76 3.224 . . . . 0.0 113.772 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 64.0 t-20 -72.28 100.49 2.63 Favored 'General case' 0 CA--C 1.528 0.097 0 CA-C-N 119.354 0.979 . . . . 0.0 108.558 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.9 tp -59.14 -34.95 54.99 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 118.46 0.573 . . . . 0.0 111.862 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -64.64 -40.13 94.91 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 119.561 1.073 . . . . 0.0 111.657 -178.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 23.8 ttt -77.2 -43.39 33.85 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 126.713 2.005 . . . . 0.0 108.274 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.45 -43.77 88.97 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.81 0.844 . . . . 0.0 109.803 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.408 ' HG2' HD21 ' A' ' 16' ' ' LEU . 75.1 mttt -58.71 -34.87 71.8 Favored 'General case' 0 N--CA 1.462 0.171 0 O-C-N 121.579 -0.701 . . . . 0.0 111.109 178.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -64.93 -43.97 91.0 Favored 'General case' 0 C--O 1.227 -0.09 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 69.3 mt -54.34 -53.71 27.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 179.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.52 -15.26 49.49 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -107.66 -10.22 15.69 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 120.039 1.291 . . . . 0.0 114.114 -178.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.411 ' HG3' HD11 ' B' ' 32' ' ' ILE . 5.0 mm-40 -102.38 -35.02 8.96 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 124.143 0.977 . . . . 0.0 109.442 179.354 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -103.88 -76.57 0.59 Allowed 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.935 0.894 . . . . 0.0 110.135 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 CA--C 1.54 0.584 0 C-N-CA 126.426 1.89 . . . . 0.0 112.236 -179.786 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 8.7 tp . . . . . 0 CA--C 1.531 0.248 0 N-CA-C 112.719 0.636 . . . . 0.0 112.719 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 2.0 p -70.13 -25.2 63.37 Favored 'General case' 0 N--CA 1.456 -0.174 0 O-C-N 121.048 -1.033 . . . . 0.0 111.372 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -62.25 -20.01 63.81 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.841 0.746 . . . . 0.0 112.284 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -85.7 -23.45 27.39 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.155 1.382 . . . . 0.0 111.022 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 89.5 mt -61.12 -47.29 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -60.86 -29.6 69.62 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.628 1.171 . . . . 0.0 111.606 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -69.49 -43.83 72.35 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 20.8 mt -66.5 -27.64 67.93 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.731 0.812 . . . . 0.0 111.233 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 33.9 mtt -61.49 -43.17 99.34 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 178.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 9.5 t -72.36 -21.29 61.32 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 122.161 -0.337 . . . . 0.0 110.775 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -74.03 -3.21 27.93 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 120.964 -1.085 . . . . 0.0 110.901 178.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.45 -0.4 59.81 Favored Glycine 0 C--N 1.339 0.703 0 C-N-CA 125.076 1.322 . . . . 0.0 114.246 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -81.9 135.04 35.44 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 118.816 1.308 . . . . 0.0 109.936 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 47.1 m -75.74 152.56 37.39 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.011 -0.736 . . . . 0.0 109.011 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -50.16 -42.65 51.37 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 19.3 mp0 -59.03 -53.52 57.51 Favored 'General case' 0 C--O 1.226 -0.133 0 C-N-CA 123.205 0.602 . . . . 0.0 110.169 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.4 -47.16 76.3 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 124.874 1.27 . . . . 0.0 109.043 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 70.8 mt -58.34 -52.0 64.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 122.946 0.498 . . . . 0.0 109.951 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 -62.46 -42.04 99.19 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 119.155 -0.45 . . . . 0.0 111.577 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -59.17 -47.51 85.04 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 123.296 0.639 . . . . 0.0 109.661 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.37 -40.56 94.76 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 120.472 -0.491 . . . . 0.0 109.821 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 12.0 mt -63.0 -54.41 38.66 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 118.672 -0.68 . . . . 0.0 112.129 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 8.3 p -58.78 -47.03 90.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 118.297 0.499 . . . . 0.0 111.846 -178.414 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.411 HD11 ' HG3' ' A' ' 46' ' ' GLU . 54.4 mt -64.09 -32.72 58.46 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-O 119.25 -0.405 . . . . 0.0 110.385 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.15 8.03 14.32 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.806 0.73 . . . . 0.0 111.668 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 3.7 m170 56.7 53.57 8.22 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.981 1.712 . . . . 0.0 107.524 -178.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 12.0 m120 67.26 -2.53 1.21 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 128.146 2.579 . . . . 0.0 113.514 -179.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -67.33 104.14 1.43 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 120.545 1.52 . . . . 0.0 110.946 -178.105 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 4.8 tp -56.36 -43.39 77.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 C-N-CA 125.284 1.433 . . . . 0.0 113.66 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -67.35 -49.48 63.87 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 125.096 1.358 . . . . 0.0 110.318 -178.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 14.3 ttt -61.21 -43.49 98.79 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.87 1.268 . . . . 0.0 108.069 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.68 -43.43 98.83 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.172 0.989 . . . . 0.0 109.935 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -58.69 -39.21 80.08 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 121.426 -0.796 . . . . 0.0 109.069 178.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -61.05 -40.16 92.58 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 118.556 0.616 . . . . 0.0 109.503 179.039 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 68.0 mt -59.25 -52.23 63.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 178.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 97.5 mt -61.52 -23.23 65.79 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.417 0.687 . . . . 0.0 112.268 179.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -81.24 -42.1 21.24 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 117.635 -1.174 . . . . 0.0 112.24 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -94.29 -15.5 24.42 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 -178.118 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -113.95 -69.0 0.89 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 119.597 1.089 . . . . 0.0 111.525 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 CA--C 1.537 0.47 0 C-N-CA 123.972 0.909 . . . . 0.0 111.081 -179.06 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.8 mp . . . . . 0 CA--C 1.523 -0.083 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.8 m -54.12 -43.05 70.13 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 119.533 1.061 . . . . 0.0 110.611 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.9 m -62.68 -27.01 68.95 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.149 0.98 . . . . 0.0 111.389 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -82.1 -27.85 32.63 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.052 0.941 . . . . 0.0 110.271 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.472 HG23 HG21 ' A' ' 26' ' ' ILE . 74.5 mt -62.27 -44.81 99.57 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 N-CA-C 105.047 -2.205 . . . . 0.0 105.047 178.006 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -61.69 -35.48 78.11 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.336 -0.853 . . . . 0.0 110.66 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.6 mmp_? -64.0 -46.15 85.8 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.6 mt -66.23 -36.31 82.69 Favored 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 124.928 1.291 . . . . 0.0 111.483 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 49.9 mtt -58.33 -29.84 66.23 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 119.262 0.937 . . . . 0.0 110.398 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -72.64 6.3 2.55 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.547 1.939 . . . . 0.0 113.271 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -115.74 -3.09 12.28 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 126.103 1.761 . . . . 0.0 111.861 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.8 -15.36 55.65 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 125.004 1.288 . . . . 0.0 112.548 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -64.63 119.99 11.56 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 119.187 1.494 . . . . 0.0 109.691 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 59.3 m -71.42 158.98 35.33 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -51.6 -40.24 59.48 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 121.668 -0.645 . . . . 0.0 112.218 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -49.72 -58.97 4.27 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.514 1.126 . . . . 0.0 110.536 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.23 -47.14 87.45 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 126.228 1.811 . . . . 0.0 110.378 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.472 HG21 HG23 ' A' ' 13' ' ' ILE . 60.7 mt -56.52 -47.64 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 119.255 0.934 . . . . 0.0 110.325 -179.642 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -63.69 -52.43 60.67 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-O 117.566 -1.207 . . . . 0.0 109.34 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -50.23 -41.83 50.72 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.257 1.39 . . . . 0.0 110.725 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.54 -50.14 66.31 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.232 0.613 . . . . 0.0 109.941 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.4 mt -60.92 -45.85 93.01 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 118.812 0.733 . . . . 0.0 111.37 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.3 t -56.21 -55.32 19.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 C-N-CA 126.739 2.016 . . . . 0.0 109.451 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.9 mt -67.53 -22.46 28.66 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.868 0 O-C-N 121.689 -0.632 . . . . 0.0 110.206 -178.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.0 9.07 29.34 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 125.225 1.41 . . . . 0.0 113.086 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 56.23 40.09 30.07 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 118.652 0.66 . . . . 0.0 109.34 -178.548 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 66.25 24.88 10.64 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 127.129 2.172 . . . . 0.0 114.632 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -92.05 109.78 21.14 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 177.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.9 tp -68.44 -39.98 81.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-O 118.631 -0.699 . . . . 0.0 112.141 -179.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -57.09 -44.36 83.09 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 119.218 0.917 . . . . 0.0 109.684 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.5 ttt -65.79 -54.92 20.59 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 126.632 1.973 . . . . 0.0 109.003 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.95 -40.34 69.85 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.013 0.525 . . . . 0.0 111.616 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.0 mttm -58.67 -44.13 90.11 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 117.879 -1.057 . . . . 0.0 110.522 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -64.73 -43.6 92.84 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 118.829 0.741 . . . . 0.0 110.152 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.413 HG13 HG21 ' B' ' 32' ' ' ILE . 71.4 mt -58.37 -50.9 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -179.48 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 82.0 mt -61.87 -43.12 99.49 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 54.3 ttt85 -63.57 -35.35 80.2 Favored 'General case' 0 C--O 1.226 -0.184 0 CA-C-O 118.118 -0.944 . . . . 0.0 111.924 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -85.55 -69.2 0.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 119.721 1.146 . . . . 0.0 112.78 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -65.43 -51.14 62.36 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 125.099 1.36 . . . . 0.0 114.631 -177.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 CA--C 1.539 0.549 0 C-N-CA 125.227 1.411 . . . . 0.0 111.815 -178.633 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mp . . . . . 0 N--CA 1.466 0.339 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 51.1 m -59.25 -42.72 91.79 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 119.975 1.262 . . . . 0.0 111.89 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 9.9 m -63.07 -20.46 65.36 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.137 0.575 . . . . 0.0 111.545 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -88.06 -29.38 20.7 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 123.618 0.767 . . . . 0.0 109.03 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 88.8 mt -65.62 -43.95 93.8 Favored 'Isoleucine or valine' 0 C--N 1.345 0.397 0 N-CA-C 104.184 -2.524 . . . . 0.0 104.184 177.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -56.82 -45.29 82.38 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.425 1.09 . . . . 0.0 109.158 178.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 8.1 mmp_? -61.62 -44.75 96.4 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 21.8 mt -65.49 -29.78 70.48 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.502 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 7.6 mtt -62.76 -42.75 99.83 Favored 'General case' 0 C--N 1.34 0.16 0 CA-C-N 120.361 1.437 . . . . 0.0 108.279 178.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 29.9 t -58.33 -26.11 62.71 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.657 0.783 . . . . 0.0 110.99 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 39.3 mm-40 -68.43 -13.39 62.27 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 119.922 -1.736 . . . . 0.0 110.451 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.35 -3.39 56.58 Favored Glycine 0 CA--C 1.526 0.771 0 C-N-CA 126.423 1.963 . . . . 0.0 114.27 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -69.56 165.07 21.86 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 118.927 1.363 . . . . 0.0 112.443 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 66.5 m -80.9 151.84 28.4 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.638 1.575 . . . . 0.0 109.603 178.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -58.09 -45.36 87.29 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 119.324 0.965 . . . . 0.0 110.659 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -55.08 -51.09 67.48 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 124.723 1.209 . . . . 0.0 111.302 -179.224 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.82 -37.22 73.41 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.937 0.895 . . . . 0.0 110.634 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 75.3 mt -63.3 -48.71 86.11 Favored 'Isoleucine or valine' 0 C--O 1.231 0.082 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -62.52 -45.31 93.58 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-O 119.054 -0.498 . . . . 0.0 110.494 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -58.53 -48.06 82.12 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 123.338 0.655 . . . . 0.0 109.995 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.23 -38.69 91.19 Favored 'General case' 0 C--O 1.226 -0.136 0 CA-C-N 118.984 0.811 . . . . 0.0 110.463 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 19.2 mt -62.0 -52.41 64.09 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 118.349 -0.834 . . . . 0.0 110.814 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 11.1 p -60.46 -48.22 89.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-N 118.761 0.71 . . . . 0.0 111.368 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.413 HG21 HG13 ' A' ' 43' ' ' ILE . 56.8 mt -63.31 -31.02 51.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 CA-C-N 118.868 0.758 . . . . 0.0 109.583 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.31 7.9 10.4 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.305 1.042 . . . . 0.0 111.566 178.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 58.5 m170 55.16 43.61 29.15 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.052 1.341 . . . . 0.0 107.881 -177.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 67.2 8.91 6.55 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 129.127 2.971 . . . . 0.0 113.664 -178.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -74.64 106.28 6.14 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 121.159 1.8 . . . . 0.0 106.749 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 8.8 tp -59.89 -39.71 80.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 124.3 1.04 . . . . 0.0 113.045 -179.129 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -68.97 -45.06 71.62 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 119.258 0.936 . . . . 0.0 109.09 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 11.4 ttt -59.69 -46.49 88.92 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 178.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.08 97.17 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -56.0 -37.46 69.17 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-O 117.973 -1.013 . . . . 0.0 108.933 178.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -66.28 -51.24 59.42 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.585 1.084 . . . . 0.0 108.341 178.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 65.3 mt -50.01 -52.78 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-O 121.972 0.892 . . . . 0.0 108.742 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 76.5 mt -65.51 -35.36 80.63 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 124.859 1.264 . . . . 0.0 114.179 -178.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 33.1 ttt85 -71.02 -27.04 63.39 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 120.525 1.512 . . . . 0.0 112.648 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -91.88 -78.66 0.4 Allowed 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -57.73 -61.06 2.79 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 125.823 1.649 . . . . 0.0 114.506 -178.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 4.0 t . . . . . 0 CA--C 1.543 0.685 0 CA-C-N 118.822 0.737 . . . . 0.0 110.494 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.6 tp . . . . . 0 N--CA 1.47 0.535 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 61.6 m -57.12 -28.7 62.92 Favored 'General case' 0 C--N 1.342 0.276 0 C-N-CA 124.567 1.147 . . . . 0.0 110.829 178.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.6 -8.92 4.97 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 125.935 1.694 . . . . 0.0 113.17 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -111.46 -25.87 9.38 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.131 1.772 . . . . 0.0 108.918 178.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.463 HG23 HG21 ' A' ' 26' ' ' ILE . 59.0 mt -67.57 -45.41 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 N-CA-C 105.416 -2.068 . . . . 0.0 105.416 177.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -59.71 -28.84 67.67 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.593 0.757 . . . . 0.0 111.353 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -75.76 -38.49 58.33 Favored 'General case' 0 CA--C 1.513 -0.48 0 C-N-CA 123.85 0.86 . . . . 0.0 110.485 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.3 mt -62.15 -38.72 90.07 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 41.4 mtt -60.18 -29.02 68.42 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 118.322 0.51 . . . . 0.0 111.195 179.038 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 t -61.7 -44.29 97.21 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 124.717 1.207 . . . . 0.0 111.466 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -67.1 -22.88 65.8 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 117.914 -1.041 . . . . 0.0 112.549 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 125.28 13.37 3.56 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 124.56 1.076 . . . . 0.0 113.171 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -83.36 177.07 8.66 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 119.234 1.517 . . . . 0.0 110.623 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.1 t -127.56 152.42 47.64 Favored 'General case' 0 CA--C 1.518 -0.281 0 O-C-N 121.42 -0.8 . . . . 0.0 110.977 -178.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -53.48 -37.72 62.97 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 122.891 0.477 . . . . 0.0 111.414 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -60.63 -61.91 2.25 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 118.495 0.589 . . . . 0.0 110.867 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -56.51 -46.9 80.3 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 123.667 0.787 . . . . 0.0 109.732 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.463 HG21 HG23 ' A' ' 13' ' ' ILE . 57.4 mt -54.37 -48.64 68.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-N 119.972 1.26 . . . . 0.0 110.044 179.244 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -64.83 -39.13 93.08 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 118.462 -0.78 . . . . 0.0 112.035 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -61.54 -42.74 99.28 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 178.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.47 -44.08 88.29 Favored 'General case' 0 C--O 1.226 -0.174 0 O-C-N 121.461 -0.774 . . . . 0.0 109.85 179.004 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.2 mt -62.2 -32.34 72.98 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 118.014 -0.993 . . . . 0.0 113.393 -179.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.7 p -76.9 -47.33 27.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.145 0 CA-C-N 119.891 1.223 . . . . 0.0 109.747 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 76.4 mt -64.85 -32.73 59.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.49 6.07 9.38 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.968 0.907 . . . . 0.0 111.638 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.9 m170 55.78 51.37 12.47 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.725 1.61 . . . . 0.0 109.473 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.3 m120 64.22 14.38 8.61 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 127.582 2.353 . . . . 0.0 113.363 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -85.69 103.97 14.99 Favored 'General case' 0 C--O 1.232 0.154 0 O-C-N 120.469 -1.394 . . . . 0.0 109.062 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.4 tp -61.55 -37.81 78.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 123.888 0.875 . . . . 0.0 111.876 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -65.93 -51.76 55.73 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 119.475 1.034 . . . . 0.0 109.105 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.408 ' HE2' ' HA ' ' B' ' 33' ' ' ALA . 6.1 ttt -57.66 -47.2 82.95 Favored 'General case' 0 C--N 1.334 -0.072 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 179.302 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.56 -45.09 92.84 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 122.96 0.504 . . . . 0.0 110.353 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.4 mttm -57.42 -37.58 72.98 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 119.574 1.079 . . . . 0.0 109.935 179.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -65.1 -43.86 90.7 Favored 'General case' 0 C--O 1.226 -0.161 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 178.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 82.8 mt -58.92 -53.28 49.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 22.5 mt -57.6 -29.11 64.22 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.069 0.947 . . . . 0.0 110.428 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -78.11 -63.4 1.4 Allowed 'General case' 0 C--O 1.224 -0.255 0 O-C-N 120.964 -1.085 . . . . 0.0 111.224 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -64.8 -27.34 68.82 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 -177.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -108.31 -53.91 2.57 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 119.141 0.882 . . . . 0.0 113.376 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.451 -0.402 0 C-N-CA 120.401 -0.52 . . . . 0.0 111.486 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 mp . . . . . 0 N--CA 1.465 0.314 0 CA-C-O 118.823 -0.608 . . . . 0.0 111.331 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 40.2 m -60.4 -24.75 65.39 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.025 0.83 . . . . 0.0 110.782 178.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 19.9 m -61.06 -34.6 75.15 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 121.092 -1.005 . . . . 0.0 110.783 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -80.73 -24.98 38.37 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.55 -0.718 . . . . 0.0 110.47 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.428 HG23 HG21 ' B' ' 26' ' ' ILE . 57.5 mt -61.97 -44.63 99.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 N-CA-C 105.55 -2.018 . . . . 0.0 105.55 178.368 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -65.38 -32.42 74.04 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.56 -0.712 . . . . 0.0 111.592 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -69.05 -37.25 78.46 Favored 'General case' 0 C--O 1.232 0.177 0 O-C-N 121.14 -0.975 . . . . 0.0 108.618 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 14.4 mt -68.03 -45.19 74.67 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 43.8 mtt -49.88 -36.71 28.21 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.921 0.888 . . . . 0.0 111.812 179.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -55.22 -27.98 49.93 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.04 1.736 . . . . 0.0 112.85 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -78.9 -8.17 58.62 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.666 1.186 . . . . 0.0 112.057 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.85 11.97 29.06 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.387 1.47 . . . . 0.0 110.255 -178.147 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -80.58 162.44 24.27 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-N 118.743 1.272 . . . . 0.0 108.862 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 29.2 t -117.65 155.39 29.98 Favored 'General case' 0 CA--C 1.52 -0.186 0 C-N-CA 124.001 0.92 . . . . 0.0 109.59 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -53.49 -36.5 61.76 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.42 1.088 . . . . 0.0 110.34 178.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -57.95 -57.75 11.42 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 122.791 0.436 . . . . 0.0 110.992 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -64.62 -45.14 88.17 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.271 1.029 . . . . 0.0 111.06 -179.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.428 HG21 HG23 ' B' ' 13' ' ' ILE . 35.4 mt -55.09 -48.81 75.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 CA-C-N 119.513 1.051 . . . . 0.0 109.48 179.428 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -65.79 -45.86 80.85 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.634 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -54.56 -35.19 62.99 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 120.195 1.361 . . . . 0.0 111.335 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.39 -48.57 40.42 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 18.6 mt -53.63 -44.87 69.9 Favored 'General case' 0 C--N 1.338 0.099 0 CA-C-O 118.357 -0.83 . . . . 0.0 110.776 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 93.5 t -55.04 -50.53 62.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 123.804 0.841 . . . . 0.0 110.767 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 40.5 mt -68.5 -31.1 49.79 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 C-N-CA 123.781 0.833 . . . . 0.0 110.409 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.408 ' HA ' ' HE2' ' A' ' 39' ' ' MET . . . -83.13 14.07 3.69 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-O 117.816 -1.088 . . . . 0.0 111.772 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 27.0 m170 55.2 39.24 31.34 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 120.848 1.658 . . . . 0.0 109.303 -178.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 m120 64.79 10.66 6.25 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 127.95 2.5 . . . . 0.0 112.321 -179.071 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -72.53 104.52 3.87 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 6.4 tp -63.61 -38.12 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 O-C-N 121.645 -0.659 . . . . 0.0 112.356 -179.087 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -62.37 -49.28 76.16 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 119.074 0.852 . . . . 0.0 109.379 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 8.9 ttt -62.31 -48.45 79.81 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.61 -43.47 84.78 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 121.702 -0.623 . . . . 0.0 110.841 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -56.64 -35.82 68.8 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.593 0.757 . . . . 0.0 109.464 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -67.75 -47.58 68.83 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 26.3 mt -54.52 -58.15 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.006 0.923 . . . . 0.0 108.573 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 15.2 mt -53.72 -41.99 67.62 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 126.87 2.068 . . . . 0.0 110.919 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 54.5 ttt180 -62.38 -40.95 98.13 Favored 'General case' 0 C--O 1.227 -0.105 0 CA-C-N 119.138 0.881 . . . . 0.0 112.079 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -87.95 -58.26 2.63 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 -178.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -72.83 -21.66 60.92 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 116.043 1.868 . . . . 0.0 116.043 -177.521 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 CA--C 1.536 0.442 0 CA-C-N 118.74 0.7 . . . . 0.0 111.52 -178.87 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.9 mp . . . . . 0 CA--C 1.532 0.27 0 CA-C-O 119.194 -0.431 . . . . 0.0 111.592 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.6 m -51.75 -49.63 62.21 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 125.32 1.448 . . . . 0.0 112.495 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.4 m -70.92 -18.19 62.66 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -179.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -81.71 -30.05 32.73 Favored 'General case' 0 N--CA 1.458 -0.053 0 O-C-N 121.18 -0.95 . . . . 0.0 110.252 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.2 mt -62.37 -40.1 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 N-CA-C 105.516 -2.031 . . . . 0.0 105.516 178.044 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -59.73 -48.4 81.84 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 53.5 mtm180 -65.39 -23.01 66.86 Favored 'General case' 0 C--N 1.342 0.262 0 O-C-N 121.819 -0.551 . . . . 0.0 111.545 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 26.1 mt -76.83 -33.98 57.91 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 119.848 1.204 . . . . 0.0 108.303 178.341 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 30.3 mtt -62.01 -33.96 75.32 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 108.199 -1.038 . . . . 0.0 108.199 178.02 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.2 m -60.14 -39.85 87.77 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.154 1.382 . . . . 0.0 109.725 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -69.67 -8.78 50.68 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.213 1.005 . . . . 0.0 111.86 178.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.54 -6.94 45.73 Favored Glycine 0 CA--C 1.524 0.625 0 C-N-CA 125.58 1.562 . . . . 0.0 114.435 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -62.57 143.09 57.64 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -178.317 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.8 m -81.64 146.22 30.18 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.265 1.426 . . . . 0.0 107.614 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -54.0 -45.13 71.38 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.445 1.098 . . . . 0.0 111.082 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -57.96 -54.32 48.23 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 123.264 0.626 . . . . 0.0 109.601 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -56.04 -44.97 79.31 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.07 0.548 . . . . 0.0 110.188 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 60.5 mt -58.76 -56.51 16.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 O-C-N 121.168 -0.958 . . . . 0.0 109.755 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -56.46 -45.71 80.71 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 118.707 -0.663 . . . . 0.0 111.874 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -60.96 -42.59 98.57 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.082 0.953 . . . . 0.0 109.597 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.25 -45.55 84.13 Favored 'General case' 0 CA--C 1.528 0.125 0 O-C-N 121.169 -0.957 . . . . 0.0 110.546 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 47.6 mt -61.35 -46.99 87.94 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 114.471 1.285 . . . . 0.0 114.471 -178.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.8 p -61.9 -45.89 97.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 118.109 0.413 . . . . 0.0 109.946 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.585 HD11 ' HG3' ' B' ' 46' ' ' GLU . 87.2 mt -67.27 -37.93 79.99 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 O-C-N 121.942 -0.474 . . . . 0.0 110.2 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.63 2.83 4.62 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 118.585 -0.722 . . . . 0.0 111.817 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 32.8 m170 58.4 59.64 2.91 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.482 1.913 . . . . 0.0 108.7 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 52.29 40.61 29.48 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 126.337 1.855 . . . . 0.0 112.605 178.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -115.98 99.29 7.16 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.6 tp -60.71 -36.22 69.4 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.164 0 C-N-CA 124.525 1.13 . . . . 0.0 111.756 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -67.61 -50.9 55.86 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 123.827 0.851 . . . . 0.0 109.187 -179.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 17.7 ttt -61.06 -46.36 91.0 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.45 -36.71 83.32 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 121.324 -0.86 . . . . 0.0 111.152 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -61.42 -34.09 74.8 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.427 1.012 . . . . 0.0 109.349 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -65.07 -50.81 64.7 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 178.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 53.1 mt -54.3 -56.2 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 C-N-CA 123.992 0.917 . . . . 0.0 109.18 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.0 mt -55.01 -25.35 29.55 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.994 0.917 . . . . 0.0 112.934 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -91.26 -49.03 6.58 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 120.764 1.62 . . . . 0.0 110.35 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -67.77 -28.54 67.7 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 117.952 -1.023 . . . . 0.0 113.47 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -112.73 -21.98 10.94 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.1 m . . . . . 0 CA--C 1.538 0.484 0 CA-C-N 119.487 1.04 . . . . 0.0 112.766 -179.208 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 7.4 mp . . . . . 0 C--O 1.226 -0.174 0 N-CA-C 113.229 0.826 . . . . 0.0 113.229 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 1.8 p -56.73 -59.2 5.37 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 124.584 1.153 . . . . 0.0 110.297 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 18.0 m -61.43 -21.34 64.04 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 122.848 0.459 . . . . 0.0 111.669 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -75.48 -26.6 58.32 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 120.695 -1.253 . . . . 0.0 110.802 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 77.9 mt -66.57 -45.08 89.58 Favored 'Isoleucine or valine' 0 C--N 1.341 0.238 0 N-CA-C 104.36 -2.459 . . . . 0.0 104.36 177.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -61.49 -40.18 93.63 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.911 0.885 . . . . 0.0 108.913 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 32.7 mtm180 -64.98 -33.0 74.99 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 119.133 0.879 . . . . 0.0 109.958 178.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 23.1 mt -70.27 -35.87 74.03 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 118.966 0.803 . . . . 0.0 108.997 178.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 53.9 mtt -56.12 -32.0 63.82 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 118.725 0.693 . . . . 0.0 110.904 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 6.4 m -60.7 -28.62 68.77 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.93 0.892 . . . . 0.0 111.84 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -80.77 -10.29 59.74 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 118.886 0.766 . . . . 0.0 110.719 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.05 3.63 48.39 Favored Glycine 0 CA--C 1.524 0.597 0 C-N-CA 124.883 1.23 . . . . 0.0 112.604 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -65.43 155.34 35.8 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 119.908 1.854 . . . . 0.0 110.189 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 30.8 t -92.25 143.04 26.82 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.727 1.611 . . . . 0.0 108.286 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -55.66 -39.18 70.57 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.754 0.822 . . . . 0.0 110.334 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -60.92 -51.64 68.4 Favored 'General case' 0 C--N 1.339 0.142 0 C-N-CA 122.744 0.418 . . . . 0.0 110.996 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -61.91 -42.01 98.58 Favored 'General case' 0 N--CA 1.46 0.063 0 CA-C-N 117.923 0.329 . . . . 0.0 110.247 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 39.8 mt -61.02 -47.73 92.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-N 118.717 0.689 . . . . 0.0 109.448 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -60.07 -54.45 45.77 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.264 0.626 . . . . 0.0 109.342 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -53.47 -35.65 60.77 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 121.598 -0.688 . . . . 0.0 110.934 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.4 -52.17 29.56 Favored 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 123.696 0.799 . . . . 0.0 109.623 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 24.4 mt -53.95 -46.13 71.48 Favored 'General case' 0 CA--C 1.52 -0.207 0 C-N-CA 124.304 1.042 . . . . 0.0 111.632 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 93.1 t -55.53 -56.84 9.86 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 124.1 0.96 . . . . 0.0 109.458 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 53.0 mt -64.43 -26.44 40.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 C-N-CA 123.905 0.882 . . . . 0.0 111.384 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.42 7.42 25.88 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.571 1.148 . . . . 0.0 111.267 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 19.0 m170 55.12 50.14 15.9 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.764 1.226 . . . . 0.0 109.951 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 54.5 52.7 11.89 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 125.984 1.714 . . . . 0.0 111.275 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -123.71 110.71 15.29 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.636 1.174 . . . . 0.0 108.528 178.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 4.1 tp -63.95 -42.94 97.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 C-N-CA 125.374 1.47 . . . . 0.0 112.186 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -68.38 -40.26 81.47 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 124.491 1.117 . . . . 0.0 111.048 -178.233 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 13.7 ttt -69.89 -46.27 65.82 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 106.776 -1.564 . . . . 0.0 106.776 178.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.57 -39.71 84.98 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.072 0.549 . . . . 0.0 110.672 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -55.71 -46.45 77.71 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.244 1.018 . . . . 0.0 108.753 178.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -57.82 -47.28 83.08 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 119.116 -0.468 . . . . 0.0 109.775 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 20.8 mt -57.46 -54.12 35.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 95.5 mt -60.93 -14.49 22.86 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.41 1.084 . . . . 0.0 112.63 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -95.16 -33.74 12.52 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 120.494 1.497 . . . . 0.0 110.178 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.585 ' HG3' HD11 ' A' ' 32' ' ' ILE . 68.8 mm-40 -89.72 -39.81 12.92 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 -179.288 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -92.9 -74.92 0.51 Allowed 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 124.334 1.054 . . . . 0.0 109.062 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 CA--C 1.54 0.56 0 C-N-CA 124.03 0.932 . . . . 0.0 112.684 179.398 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 CA--C 1.532 0.271 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.2 m -62.34 -43.27 99.22 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.362 0.665 . . . . 0.0 110.532 178.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.6 m -75.67 -26.54 57.73 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 118.664 -0.684 . . . . 0.0 110.056 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -65.0 -35.75 82.19 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.58 1.082 . . . . 0.0 108.359 178.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.1 mt -61.82 -41.22 89.86 Favored 'Isoleucine or valine' 0 C--N 1.34 0.172 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 178.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -64.01 -33.44 75.75 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -66.39 -34.76 78.68 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.74 1.154 . . . . 0.0 108.573 177.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.5 mt -69.41 -33.06 72.45 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 118.491 -0.766 . . . . 0.0 109.105 178.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 64.6 mtt -60.8 -35.37 76.3 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 177.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.0 m -66.4 4.95 0.64 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.661 1.584 . . . . 0.0 112.92 179.089 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -121.35 1.0 10.15 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 126.601 1.96 . . . . 0.0 110.037 178.181 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.28 -6.61 66.1 Favored Glycine 0 CA--C 1.526 0.737 0 C-N-CA 126.44 1.971 . . . . 0.0 116.078 178.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -70.98 127.41 32.49 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 119.857 1.828 . . . . 0.0 110.779 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.1 m -68.76 145.86 53.43 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.264 0.626 . . . . 0.0 109.347 179.033 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -55.42 -40.65 71.74 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.657 0.783 . . . . 0.0 113.053 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.4 mp0 -54.18 -47.02 72.5 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.463 1.105 . . . . 0.0 110.187 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -70.26 -47.31 61.83 Favored 'General case' 0 CA--C 1.519 -0.231 0 C-N-CA 126.375 1.87 . . . . 0.0 110.32 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.2 mt -53.92 -46.75 64.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -57.04 -49.85 74.55 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 117.733 -1.127 . . . . 0.0 110.359 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -51.57 -40.89 60.63 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 120.139 1.336 . . . . 0.0 110.861 179.256 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.03 -47.94 72.75 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-O 118.682 -0.675 . . . . 0.0 110.062 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.97 -44.99 91.61 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 119.145 0.884 . . . . 0.0 110.775 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.8 t -55.15 -55.94 13.8 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 C-N-CA 124.806 1.243 . . . . 0.0 109.769 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.4 mt -67.88 -27.36 37.49 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 123.46 0.704 . . . . 0.0 111.231 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.55 0.44 42.68 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 120.69 -1.256 . . . . 0.0 110.779 178.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 59.75 51.37 6.24 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.734 1.614 . . . . 0.0 108.391 -178.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m120 57.15 27.4 13.43 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 127.546 2.338 . . . . 0.0 113.028 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -95.97 103.89 15.8 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 106.822 -1.547 . . . . 0.0 106.822 178.453 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.0 tp -65.41 -37.7 80.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 O-C-N 121.61 -0.681 . . . . 0.0 112.645 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.71 -35.76 77.13 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.795 0.838 . . . . 0.0 110.714 -179.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 15.9 ttt -80.36 -47.35 14.6 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 127.792 2.437 . . . . 0.0 109.032 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.02 -37.75 72.15 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 121.586 -0.696 . . . . 0.0 110.897 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -56.73 -47.55 79.76 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 123.612 0.765 . . . . 0.0 109.36 178.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -60.11 -45.26 93.56 Favored 'General case' 0 CA--C 1.529 0.152 0 O-C-N 123.752 0.658 . . . . 0.0 109.806 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 67.4 mt -53.46 -57.45 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 123.562 0.745 . . . . 0.0 109.526 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.5 mt -59.17 -55.17 38.35 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.071 0.948 . . . . 0.0 111.677 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -58.01 -36.94 73.39 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 114.017 1.118 . . . . 0.0 114.017 -178.326 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -77.22 -72.9 0.32 Allowed 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 119.227 0.921 . . . . 0.0 109.722 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -61.55 -54.39 43.75 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 115.743 1.756 . . . . 0.0 115.743 -177.428 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.3 t . . . . . 0 CA--C 1.537 0.46 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 -178.436 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 9.7 mp . . . . . 0 N--CA 1.46 0.071 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 6.2 m -55.12 -35.95 65.21 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.95 1.3 . . . . 0.0 110.304 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 8.3 m -83.25 -12.8 56.4 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.132 0.973 . . . . 0.0 111.734 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -89.25 -33.37 17.0 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 124.481 1.112 . . . . 0.0 108.803 178.595 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 35.0 mt -59.65 -39.59 79.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -65.06 -35.15 80.25 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.807 -0.558 . . . . 0.0 110.546 178.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -61.33 -39.53 90.89 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 119.012 0.824 . . . . 0.0 108.918 179.146 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 12.2 mt -67.95 -33.7 75.16 Favored 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 64.0 mtt -61.72 -36.91 82.32 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 119.259 0.936 . . . . 0.0 108.604 177.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 4.8 m -56.84 -34.54 67.88 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.683 0.674 . . . . 0.0 110.645 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -71.43 -9.81 58.76 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.016 0.825 . . . . 0.0 112.076 178.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.29 -3.34 47.25 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 125.538 1.542 . . . . 0.0 114.9 178.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -71.33 162.83 28.79 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 119.645 1.722 . . . . 0.0 113.043 -179.213 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 7.8 m -88.01 154.07 20.78 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.768 1.227 . . . . 0.0 109.659 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -61.93 -45.53 93.29 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.979 0.912 . . . . 0.0 112.043 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 -53.49 -51.68 61.99 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 124.081 0.953 . . . . 0.0 110.347 -179.013 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' ASP . . . . . 0.625 ' HA ' ' HE2' ' B' ' 28' ' ' LYS . 40.1 m-20 -55.66 -47.84 76.01 Favored 'General case' 0 CA--C 1.521 -0.158 0 C-N-CA 124.033 0.933 . . . . 0.0 109.789 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 57.7 mt -56.72 -50.34 74.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -58.33 -43.39 88.23 Favored 'General case' 0 C--N 1.34 0.158 0 CA-C-O 118.289 -0.863 . . . . 0.0 112.162 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.625 ' HE2' ' HA ' ' B' ' 25' ' ' ASP . 24.4 mtmt -57.29 -49.73 75.16 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 179.028 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.95 -41.53 99.54 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 117.919 -1.039 . . . . 0.0 111.478 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -59.25 -52.89 63.73 Favored 'General case' 0 C--N 1.341 0.22 0 CA-C-N 119.994 1.27 . . . . 0.0 111.174 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 8.8 p -61.09 -48.64 88.13 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 O-C-N 123.427 0.454 . . . . 0.0 110.776 -179.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 71.1 mt -60.66 -35.18 62.07 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-O 118.985 -0.531 . . . . 0.0 110.223 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.99 5.99 7.06 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.145 0.978 . . . . 0.0 112.439 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 19.0 m170 63.6 44.31 5.26 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.091 1.756 . . . . 0.0 109.003 -178.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 56.58 50.42 12.87 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 128.257 2.623 . . . . 0.0 111.064 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -121.28 103.26 8.85 Favored 'General case' 0 CA--C 1.521 -0.14 0 C-N-CA 125.402 1.481 . . . . 0.0 109.12 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 10.2 tp -57.68 -40.8 77.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 C-N-CA 124.035 0.934 . . . . 0.0 113.446 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -59.29 -53.43 58.38 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 124.012 0.925 . . . . 0.0 110.226 -178.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 13.3 ttt -64.39 -45.82 85.99 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 126.176 1.791 . . . . 0.0 109.678 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.94 -43.78 94.76 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.265 0.626 . . . . 0.0 111.07 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -55.16 -36.83 66.26 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.436 179.186 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -68.89 -43.04 76.09 Favored 'General case' 0 N--CA 1.454 -0.269 0 O-C-N 123.633 0.583 . . . . 0.0 109.56 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 68.2 mt -56.92 -49.48 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 39.5 mt -65.13 -5.92 7.85 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.207 1.403 . . . . 0.0 112.86 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -109.21 -34.67 6.51 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 117.504 -1.236 . . . . 0.0 113.614 -178.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -98.23 -8.4 27.42 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.288 0.949 . . . . 0.0 112.273 -179.195 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -123.84 -58.34 1.58 Allowed 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 123.809 0.844 . . . . 0.0 109.558 178.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 3.4 t . . . . . 0 CA--C 1.541 0.601 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 179.63 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 mp . . . . . 0 N--CA 1.464 0.247 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.5 m -55.93 -38.07 69.79 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.94 0.896 . . . . 0.0 110.058 178.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.6 p -69.05 -37.52 78.59 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 121.808 -0.558 . . . . 0.0 110.539 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -65.98 -28.95 69.28 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.432 0.693 . . . . 0.0 109.596 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 78.5 mt -67.87 -49.76 66.03 Favored 'Isoleucine or valine' 0 C--N 1.338 0.099 0 N-CA-C 106.056 -1.831 . . . . 0.0 106.056 177.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -62.9 -28.01 69.76 Favored 'General case' 0 C--O 1.236 0.355 0 O-C-N 121.999 -0.438 . . . . 0.0 111.347 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -67.87 -44.51 76.91 Favored 'General case' 0 C--N 1.34 0.176 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 178.225 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.8 mt -65.63 -32.77 74.52 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-O 118.129 -0.938 . . . . 0.0 110.254 178.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 63.3 mtt -58.69 -45.96 88.32 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 106.591 -1.633 . . . . 0.0 106.591 177.414 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.9 t -62.82 -25.69 68.38 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.344 0.658 . . . . 0.0 111.614 179.271 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -71.86 -8.7 55.88 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 120.031 1.287 . . . . 0.0 109.542 177.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.75 11.13 25.44 Favored Glycine 0 CA--C 1.53 0.991 0 CA-C-O 117.83 -1.539 . . . . 0.0 116.149 178.173 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -95.08 167.2 11.53 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.367 1.583 . . . . 0.0 112.325 -179.158 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.2 m -95.23 151.93 18.81 Favored 'General case' 0 C--O 1.232 0.163 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 178.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -57.0 -39.57 74.92 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.303 0.641 . . . . 0.0 112.422 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -57.28 -51.65 68.53 Favored 'General case' 0 N--CA 1.461 0.112 0 C-N-CA 125.263 1.425 . . . . 0.0 111.904 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -59.22 -41.69 89.24 Favored 'General case' 0 CA--C 1.517 -0.295 0 C-N-CA 123.837 0.855 . . . . 0.0 109.119 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.0 mt -64.06 -50.02 78.94 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -58.99 -42.12 89.27 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 119.991 1.268 . . . . 0.0 110.95 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -63.81 -41.14 97.95 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 120.676 -1.265 . . . . 0.0 109.628 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.91 -38.37 86.1 Favored 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 121.544 -0.722 . . . . 0.0 110.313 179.062 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -55.85 29.65 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.364 1.066 . . . . 0.0 111.603 -179.197 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -58.17 -45.08 88.8 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 123.279 0.631 . . . . 0.0 111.864 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.444 HD11 ' HG3' ' B' ' 46' ' ' GLU . 74.1 mt -69.5 -25.39 28.83 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 CA-C-N 118.513 0.597 . . . . 0.0 110.995 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.5 15.53 12.18 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 120.968 -1.083 . . . . 0.0 111.514 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.4 m170 53.61 39.21 29.83 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.827 1.194 . . . . 0.0 110.011 -178.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.8 m120 62.77 13.21 6.27 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.273 1.829 . . . . 0.0 112.34 -178.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -78.29 101.42 7.15 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 104.016 -2.587 . . . . 0.0 104.016 177.223 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.411 HG13 ' HE3' ' A' ' 41' ' ' LYS . 7.6 tp -54.26 -41.79 53.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 124.656 1.182 . . . . 0.0 114.082 -178.414 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -69.55 -37.61 77.12 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 123.75 0.82 . . . . 0.0 111.348 -178.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 13.3 ttt -65.47 -47.57 75.62 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 178.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.04 -43.29 95.43 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.215 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.411 ' HE3' HG13 ' A' ' 37' ' ' ILE . 86.1 mttt -57.12 -43.62 82.52 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.588 0.755 . . . . 0.0 109.808 178.812 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -58.25 -43.88 88.04 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 118.864 -0.589 . . . . 0.0 110.174 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 17.6 mt -63.14 -49.84 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 88.9 mt -70.73 18.61 0.06 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.316 1.446 . . . . 0.0 113.906 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 39.6 ttp180 -140.59 -0.5 1.55 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.354 1.862 . . . . 0.0 110.504 178.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -131.08 -14.49 3.43 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.88 1.672 . . . . 0.0 111.76 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -123.26 -67.53 0.94 Allowed 'General case' 0 C--O 1.233 0.188 0 C-N-CA 126.008 1.723 . . . . 0.0 106.988 178.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.7 t . . . . . 0 CA--C 1.536 0.411 0 N-CA-C 106.11 -1.811 . . . . 0.0 106.11 178.243 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 mp . . . . . 0 N--CA 1.457 -0.089 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.75 -43.73 69.4 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.989 0.813 . . . . 0.0 110.79 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 78.2 p -65.58 -36.55 84.07 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 117.971 0.35 . . . . 0.0 111.242 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -66.73 -32.28 73.47 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.635 -0.665 . . . . 0.0 111.639 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.31 -46.23 97.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -60.69 -33.77 73.36 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 123.163 0.585 . . . . 0.0 111.519 -179.261 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -68.24 -40.16 82.1 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 178.368 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 35.1 mt -65.42 -32.79 74.6 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 121.569 -0.707 . . . . 0.0 109.782 178.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 55.0 mtt -60.58 -32.05 71.16 Favored 'General case' 0 C--N 1.343 0.305 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.211 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 3.6 t -60.38 -49.09 78.95 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 125.649 1.579 . . . . 0.0 109.892 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -58.73 -33.24 70.0 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.038 0.535 . . . . 0.0 109.562 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 126.89 -2.77 7.42 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 125.221 1.391 . . . . 0.0 114.115 178.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -63.96 135.81 56.81 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 119.191 1.495 . . . . 0.0 110.386 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 17.7 m -74.4 147.24 42.28 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.096 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -56.86 -34.56 67.95 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.511 0.724 . . . . 0.0 110.107 179.307 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -57.09 -55.07 39.54 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.194 0.998 . . . . 0.0 109.396 178.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.49 -50.13 72.68 Favored 'General case' 0 CA--C 1.521 -0.154 0 C-N-CA 124.996 1.319 . . . . 0.0 109.817 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 31.0 mt -57.84 -49.31 81.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 119.515 -0.279 . . . . 0.0 110.55 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -63.92 -43.39 96.04 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 118.894 0.77 . . . . 0.0 112.485 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -63.67 -41.66 98.16 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.17 -46.15 88.49 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 25.4 mt -61.99 -45.14 94.92 Favored 'General case' 0 CA--C 1.522 -0.127 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 -178.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.05 -44.79 97.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 119.225 0.92 . . . . 0.0 110.489 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 69.0 mt -69.23 -35.95 70.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 C-N-CA 123.584 0.753 . . . . 0.0 109.077 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.05 12.56 0.68 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.094 0.958 . . . . 0.0 112.551 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 51.0 m170 53.43 50.05 18.26 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.639 1.576 . . . . 0.0 109.532 -179.104 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.9 t30 54.92 46.5 24.25 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 127.015 2.126 . . . . 0.0 112.971 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -119.69 107.96 13.87 Favored 'General case' 0 CA--C 1.522 -0.111 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 4.0 tp -63.74 -37.68 80.33 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.243 0 C-N-CA 124.078 0.951 . . . . 0.0 112.235 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -66.84 -49.74 64.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 119.307 0.958 . . . . 0.0 109.449 -178.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 14.6 ttt -59.24 -45.09 92.11 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 107.578 -1.268 . . . . 0.0 107.578 178.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.45 -43.69 98.42 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 178.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -58.16 -35.26 71.3 Favored 'General case' 0 C--N 1.34 0.194 0 CA-C-O 118.112 -0.947 . . . . 0.0 110.24 179.125 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -63.55 -41.71 98.43 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 118.762 0.71 . . . . 0.0 109.288 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 53.0 mt -62.22 -44.6 99.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 178.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 66.3 mt -76.56 25.46 0.14 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 127.054 2.141 . . . . 0.0 111.683 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 20.1 ttt85 -144.36 0.31 1.02 Allowed 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 125.895 1.678 . . . . 0.0 111.024 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.444 ' HG3' HD11 ' A' ' 32' ' ' ILE . 26.1 mm-40 -132.57 -59.96 0.9 Allowed 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 125.455 1.502 . . . . 0.0 107.093 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -79.19 -73.49 0.33 Allowed 'General case' 0 C--O 1.236 0.393 0 C-N-CA 123.772 0.829 . . . . 0.0 108.77 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.239 0.516 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 178.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 119.421 -0.323 . . . . 0.0 111.247 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 m -57.8 -46.3 84.84 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.291 1.436 . . . . 0.0 110.461 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.1 p -58.71 -32.87 69.58 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.389 1.076 . . . . 0.0 112.325 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -71.71 -28.36 63.64 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 123.298 0.639 . . . . 0.0 110.837 -178.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.6 mt -64.9 -47.72 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 178.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -62.03 -35.57 79.0 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.707 0.803 . . . . 0.0 110.73 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.8 mtp85 -65.67 -34.7 78.82 Favored 'General case' 0 C--N 1.345 0.375 0 C-N-CA 119.045 -1.062 . . . . 0.0 108.641 178.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.1 mt -74.27 -35.64 63.77 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 118.793 0.724 . . . . 0.0 109.362 178.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 36.1 mtt -57.33 -41.9 80.85 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 119.162 0.892 . . . . 0.0 109.006 178.618 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.0 t -55.1 -35.18 64.34 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.89 1.676 . . . . 0.0 111.224 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -69.99 -22.66 63.12 Favored 'General case' 0 CA--C 1.529 0.148 0 O-C-N 121.35 -0.844 . . . . 0.0 112.601 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.21 12.7 14.84 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.959 1.266 . . . . 0.0 110.632 -178.186 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -79.4 140.17 37.49 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 118.821 1.31 . . . . 0.0 108.918 179.151 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.4 m -73.93 143.36 45.75 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 122.857 0.463 . . . . 0.0 110.002 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -54.11 -47.54 71.69 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 123.834 0.854 . . . . 0.0 111.627 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -55.22 -47.64 75.03 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.392 1.077 . . . . 0.0 112.298 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -59.38 -50.18 74.94 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 124.082 0.953 . . . . 0.0 108.665 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 27.9 mt -56.65 -46.47 82.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 43.5 mm-40 -58.12 -50.38 73.67 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.309 0.644 . . . . 0.0 110.84 179.25 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -57.7 -44.57 85.98 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 118.419 0.554 . . . . 0.0 110.336 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.0 -40.37 97.57 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 118.088 0.403 . . . . 0.0 110.806 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 30.7 mt -64.85 -50.98 64.49 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 -178.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.5 p -59.73 -50.38 80.23 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 O-C-N 123.644 0.59 . . . . 0.0 109.768 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.5 mt -62.91 -35.45 71.31 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 C-N-CA 123.965 0.906 . . . . 0.0 110.264 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.35 4.18 7.68 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.295 0.952 . . . . 0.0 112.631 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 13.7 m170 65.27 44.85 3.1 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.018 1.327 . . . . 0.0 109.517 -179.024 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.0 m120 62.24 23.82 14.13 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 126.088 1.755 . . . . 0.0 113.284 179.07 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -98.29 107.74 20.27 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 125.417 1.487 . . . . 0.0 107.422 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 8.6 tp -60.41 -44.42 96.09 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 -178.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -59.84 -54.37 46.97 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 124.044 0.937 . . . . 0.0 109.189 -178.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.4 ttt -56.64 -42.67 79.26 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.444 1.097 . . . . 0.0 109.231 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.7 -39.66 88.16 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.31 0.644 . . . . 0.0 110.899 178.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -59.85 -39.39 85.02 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 121.205 -0.934 . . . . 0.0 109.945 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -60.28 -49.17 78.68 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 179.173 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 63.1 mt -53.86 -50.37 52.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.8 mt -62.95 -23.71 67.54 Favored 'General case' 0 C--O 1.226 -0.147 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 -179.162 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -95.43 -42.17 8.61 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 120.255 1.389 . . . . 0.0 112.046 -179.267 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -73.92 -38.89 64.17 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 118.464 -0.779 . . . . 0.0 112.202 -178.658 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -99.33 -67.48 0.85 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 119.802 1.183 . . . . 0.0 111.428 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.4 t . . . . . 0 CA--C 1.537 0.48 0 C-N-CA 124.776 1.231 . . . . 0.0 108.894 -179.853 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 8.7 mp . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 15.9 m -59.36 -43.48 92.81 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 124.18 0.992 . . . . 0.0 111.669 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 4.8 p -63.19 -23.07 67.26 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.223 1.009 . . . . 0.0 111.47 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -81.24 -25.83 36.33 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 124.732 1.213 . . . . 0.0 110.513 -178.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 61.6 mt -62.97 -45.45 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 178.33 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -60.78 -27.67 68.17 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.839 1.256 . . . . 0.0 111.018 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 52.2 mtp85 -77.32 -41.54 40.18 Favored 'General case' 0 C--N 1.34 0.183 0 O-C-N 121.287 -0.883 . . . . 0.0 108.823 178.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 7.1 mt -62.9 -37.15 85.81 Favored 'General case' 0 C--O 1.227 -0.095 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 178.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 40.3 mtt -57.98 -31.43 66.9 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 121.734 -0.604 . . . . 0.0 111.168 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 3.8 t -60.04 -20.5 58.29 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.382 1.073 . . . . 0.0 111.341 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -90.35 -9.21 48.57 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 119.574 1.079 . . . . 0.0 111.531 178.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.67 35.75 6.75 Favored Glycine 0 CA--C 1.529 0.95 0 CA-C-N 120.058 1.299 . . . . 0.0 111.803 -179.16 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -101.33 137.53 39.55 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 118.501 1.15 . . . . 0.0 110.068 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 67.3 m -67.61 148.68 51.08 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.371 0.605 . . . . 0.0 110.904 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -60.6 -38.99 86.49 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 123.846 0.858 . . . . 0.0 110.478 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -57.56 -57.98 10.29 Favored 'General case' 0 N--CA 1.452 -0.37 0 O-C-N 124.059 0.849 . . . . 0.0 109.489 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -51.97 -50.0 62.14 Favored 'General case' 0 C--N 1.334 -0.07 0 C-N-CA 124.775 1.23 . . . . 0.0 109.777 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 52.3 mt -56.24 -50.58 70.45 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 CA-C-O 118.652 -0.69 . . . . 0.0 110.163 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -60.21 -49.81 76.13 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.951 0.796 . . . . 0.0 110.665 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -54.56 -45.14 73.45 Favored 'General case' 0 N--CA 1.46 0.067 0 C-N-CA 124.522 1.129 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.6 -38.29 89.06 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 118.529 0.604 . . . . 0.0 110.433 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 18.5 mt -63.54 -54.27 38.79 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-O 118.572 -0.728 . . . . 0.0 111.733 -179.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 12.7 p -57.17 -42.72 80.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 118.548 0.613 . . . . 0.0 111.632 -178.551 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 84.5 mt -71.18 -27.81 30.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 O-C-N 121.914 -0.491 . . . . 0.0 110.385 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.8 11.6 15.07 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.017 -1.052 . . . . 0.0 111.121 178.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 56.7 40.68 29.07 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-O 122.377 1.084 . . . . 0.0 108.278 -177.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . 0.284 10.5 m-20 66.63 8.51 5.93 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 129.63 3.172 . . . . 0.0 113.523 -179.083 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -70.05 109.46 4.57 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 178.573 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 8.3 tp -63.38 -42.89 97.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 124.089 0.956 . . . . 0.0 112.056 -178.416 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -59.47 -50.09 75.28 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.207 1.003 . . . . 0.0 110.52 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 19.8 ttt -62.05 -49.22 76.85 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 125.576 1.55 . . . . 0.0 108.873 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.66 -43.08 80.02 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.677 0.791 . . . . 0.0 110.989 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 26.8 mttm -58.62 -39.42 80.41 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 118.711 -0.661 . . . . 0.0 111.019 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 46.3 m-20 -64.51 -40.5 95.76 Favored 'General case' 0 CA--C 1.528 0.112 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 68.6 mt -57.94 -48.32 84.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 178.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 40.9 mt -66.74 -7.42 20.93 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -109.83 -33.93 6.59 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 120.37 1.441 . . . . 0.0 111.328 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.58 -21.73 22.71 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 117.981 -1.009 . . . . 0.0 112.585 -178.365 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -114.56 -76.28 0.58 Allowed 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 119.545 1.066 . . . . 0.0 108.126 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.234 0.258 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 179.128 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.448 -0.557 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.5 m -54.91 -40.43 69.84 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 124.521 1.129 . . . . 0.0 111.088 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.8 m -67.91 -24.26 65.19 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.378 0.671 . . . . 0.0 112.289 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -80.79 -28.7 36.25 Favored 'General case' 0 N--CA 1.457 -0.104 0 O-C-N 121.674 -0.641 . . . . 0.0 110.747 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.7 mt -57.06 -47.5 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -61.99 -22.57 65.79 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 122.938 0.495 . . . . 0.0 112.006 -179.531 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 53.4 mtp180 -79.6 -32.6 41.91 Favored 'General case' 0 C--O 1.232 0.156 0 O-C-N 120.823 -1.173 . . . . 0.0 109.326 178.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.77 -39.0 87.7 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 177.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 58.9 mtt -54.06 -32.62 55.18 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 123.332 0.653 . . . . 0.0 112.61 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.8 m -60.99 -23.38 65.34 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.419 0.687 . . . . 0.0 111.013 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -94.99 5.12 52.84 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 126.003 1.721 . . . . 0.0 111.863 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.98 -9.01 73.23 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 124.729 1.157 . . . . 0.0 115.344 178.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -63.72 129.44 40.15 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 119.087 1.443 . . . . 0.0 109.375 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.6 m -78.39 165.45 23.79 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 108.677 -0.861 . . . . 0.0 108.677 178.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -57.92 -42.52 84.95 Favored 'General case' 0 N--CA 1.462 0.143 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -52.14 -47.87 65.18 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.869 0.868 . . . . 0.0 111.955 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -63.68 -52.54 60.19 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 125.316 1.446 . . . . 0.0 110.475 -179.118 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.419 ' HA ' HD11 ' A' ' 44' ' ' LEU . 35.9 mt -55.38 -49.47 72.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 124.179 0.991 . . . . 0.0 110.257 -178.214 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.401 ' O ' HG23 ' A' ' 31' ' ' VAL . 15.2 mm100 -61.25 -50.14 74.27 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 118.455 -0.783 . . . . 0.0 109.592 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -53.34 -43.08 67.39 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 120.197 1.362 . . . . 0.0 111.711 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.8 -46.19 83.07 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 123.02 0.528 . . . . 0.0 109.734 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 29.0 mt -59.81 -47.95 83.65 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 123.738 0.815 . . . . 0.0 110.546 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 27' ' ' GLN . 52.3 t -52.94 -56.69 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 125.259 1.424 . . . . 0.0 109.428 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.427 HD13 ' HA ' ' B' ' 43' ' ' ILE . 39.8 mt -64.87 -32.41 58.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 122.962 0.505 . . . . 0.0 111.589 -178.674 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.39 8.27 6.49 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 119.093 0.86 . . . . 0.0 111.559 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.2 m170 58.56 40.28 23.88 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.46 1.504 . . . . 0.0 108.484 -178.386 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.8 m120 69.92 10.58 7.51 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 129.077 2.951 . . . . 0.0 113.711 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -76.45 108.6 9.53 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 178.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 9.7 tp -61.46 -42.21 93.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 -178.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -61.79 -44.75 96.25 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 124.741 1.216 . . . . 0.0 109.633 -178.574 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 13.4 ttt -67.35 -46.67 72.71 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 125.146 1.378 . . . . 0.0 108.841 179.132 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.92 97.61 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.32 0.648 . . . . 0.0 110.519 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.9 mttm -59.12 -39.99 84.03 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -63.88 -41.6 97.7 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 118.959 0.799 . . . . 0.0 110.564 178.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 71.6 mt -57.69 -50.74 76.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-N 119.667 1.121 . . . . 0.0 108.187 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.419 HD11 ' HA ' ' A' ' 26' ' ' ILE . 65.2 mt -63.22 -30.54 71.66 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.471 0.708 . . . . 0.0 111.872 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -72.71 -39.5 66.93 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 118.897 0.772 . . . . 0.0 112.379 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -94.58 -31.25 13.96 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 116.593 2.072 . . . . 0.0 116.593 -177.008 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -97.25 -56.7 2.46 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 120.002 1.274 . . . . 0.0 109.813 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.5 t . . . . . 0 CA--C 1.541 0.616 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.412 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 9.0 mp . . . . . 0 N--CA 1.461 0.107 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 5.9 m -55.88 -17.62 6.87 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 125.078 1.351 . . . . 0.0 114.349 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 69.0 m -96.93 -24.73 15.7 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.767 1.167 . . . . 0.0 110.303 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -86.21 -31.5 21.7 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.249 1.019 . . . . 0.0 110.743 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.437 HG23 HG21 ' B' ' 26' ' ' ILE . 72.4 mt -58.95 -37.82 69.68 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 N-CA-C 107.086 -1.45 . . . . 0.0 107.086 178.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -64.57 -39.9 94.58 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 121.168 -0.958 . . . . 0.0 109.975 178.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 50.7 mtp180 -64.85 -25.92 68.11 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 121.324 -0.86 . . . . 0.0 109.408 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 20.9 mt -81.54 -43.82 18.21 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.346 1.058 . . . . 0.0 108.862 178.425 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 28.1 mtt -54.22 -42.5 69.89 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 119.748 1.158 . . . . 0.0 110.595 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 58.2 m -64.89 -2.68 2.75 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 179.428 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -104.65 0.56 28.61 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 125.734 1.614 . . . . 0.0 111.085 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.54 -5.66 54.81 Favored Glycine 0 C--N 1.335 0.475 0 CA-C-O 119.046 -0.864 . . . . 0.0 113.257 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -75.52 163.28 27.54 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 178.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 42.8 m -125.13 156.73 37.88 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 123.649 0.779 . . . . 0.0 110.091 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -51.9 -35.09 44.18 Favored 'General case' 0 CA--C 1.529 0.16 0 O-C-N 121.656 -0.653 . . . . 0.0 112.22 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -59.66 -57.58 12.33 Favored 'General case' 0 C--O 1.236 0.381 0 O-C-N 121.794 -0.566 . . . . 0.0 111.352 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -67.47 -41.38 84.72 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.769 0.828 . . . . 0.0 110.454 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.437 HG21 HG23 ' B' ' 13' ' ' ILE . 80.6 mt -54.58 -53.88 27.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 C-N-CA 123.894 0.878 . . . . 0.0 108.705 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -62.59 -48.91 77.37 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.841 179.415 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -53.33 -36.79 61.68 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 120.673 1.579 . . . . 0.0 111.709 -179.452 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.73 -49.22 55.31 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 14.2 mt -54.94 -49.39 71.46 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 124.067 0.947 . . . . 0.0 111.221 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 86.3 t -58.5 -48.22 86.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 124.555 1.142 . . . . 0.0 110.231 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 65.3 mt -69.47 -26.11 30.49 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 O-C-N 121.276 -0.89 . . . . 0.0 110.442 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.84 9.18 19.95 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.591 1.557 . . . . 0.0 111.557 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 32.5 m170 55.67 48.97 17.35 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.331 1.052 . . . . 0.0 109.355 -178.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 62.19 10.53 3.83 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 128.103 2.561 . . . . 0.0 114.008 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -78.54 102.61 8.0 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 107.324 -1.362 . . . . 0.0 107.324 178.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 7.2 tp -59.98 -39.03 79.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -179.31 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -65.79 -40.73 92.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.859 0.838 . . . . 0.0 111.045 -178.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 22.1 ttt -68.94 -47.02 66.74 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 179.176 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.88 -40.31 84.01 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.941 0.896 . . . . 0.0 110.943 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 27.8 mttm -60.95 -38.56 86.29 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 123.614 0.766 . . . . 0.0 109.677 178.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -66.23 -39.49 89.61 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 118.407 -0.806 . . . . 0.0 108.835 178.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.427 ' HA ' HD13 ' A' ' 32' ' ' ILE . 72.3 mt -55.33 -54.1 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 179.126 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 96.3 mt -60.53 -45.12 95.03 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 123.81 0.844 . . . . 0.0 111.718 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 14.7 ttm-85 -66.72 -29.43 69.42 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 120.546 1.521 . . . . 0.0 113.434 -179.307 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.407 ' HB2' HD11 ' A' ' 32' ' ' ILE . 20.1 mm-40 -90.3 -37.01 14.36 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 119.65 1.114 . . . . 0.0 113.81 -179.01 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -97.77 -67.71 0.83 Allowed 'General case' 0 C--O 1.233 0.227 0 CA-C-N 119.183 0.902 . . . . 0.0 109.682 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 20.6 t . . . . . 0 CA--C 1.543 0.702 0 C-N-CA 125.522 1.529 . . . . 0.0 110.613 179.876 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 mp . . . . . 0 CA--C 1.534 0.364 0 CA-C-O 118.599 -0.715 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.4 p -58.23 -47.95 81.91 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 120.447 1.476 . . . . 0.0 109.61 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.59 -24.85 61.81 Favored 'General case' 0 N--CA 1.439 -0.979 0 C-N-CA 129.362 3.065 . . . . 0.0 111.548 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.33 -29.76 26.05 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.612 1.165 . . . . 0.0 110.621 -179.404 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 53.8 mt -64.72 -52.83 49.46 Favored 'Isoleucine or valine' 0 C--N 1.341 0.236 0 N-CA-C 105.92 -1.881 . . . . 0.0 105.92 178.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -58.8 -35.15 72.37 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.669 0.787 . . . . 0.0 109.66 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -67.43 -39.36 85.43 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 119.137 0.88 . . . . 0.0 110.095 178.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.4 mt -67.61 -33.17 74.45 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 118.491 -0.766 . . . . 0.0 110.653 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.0 mtt -59.61 -33.45 71.5 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 119.042 0.837 . . . . 0.0 111.037 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.9 m -60.91 -24.86 66.32 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.221 0.608 . . . . 0.0 111.832 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -78.57 -20.19 51.11 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.45 -0.781 . . . . 0.0 111.427 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.02 -0.37 27.04 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 125.094 1.33 . . . . 0.0 111.344 -178.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -70.01 127.13 31.77 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 118.675 1.237 . . . . 0.0 108.245 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.3 m -66.99 148.07 52.43 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 122.675 0.39 . . . . 0.0 110.594 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -54.16 -42.7 69.89 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.496 0.718 . . . . 0.0 111.61 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -60.03 -45.26 93.39 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-O 119.14 -0.457 . . . . 0.0 110.814 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -59.2 -50.96 72.01 Favored 'General case' 0 CA--C 1.522 -0.107 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 41.1 mt -57.06 -47.91 82.8 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -58.4 -56.26 24.45 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 118.643 -0.694 . . . . 0.0 109.951 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.5 mtpp -53.3 -45.56 69.01 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 125.043 1.337 . . . . 0.0 110.785 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.18 -44.35 95.13 Favored 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 123.675 0.79 . . . . 0.0 110.27 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 54.1 mt -64.83 -36.02 82.99 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 118.631 -0.699 . . . . 0.0 112.595 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.8 t -63.57 -58.01 9.29 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 179.292 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 59.1 mt -59.28 -38.41 74.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 125.568 1.547 . . . . 0.0 111.28 -178.611 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.12 0.7 15.33 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 118.831 0.742 . . . . 0.0 112.193 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 51.8 m170 56.24 57.56 4.9 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 125.342 1.457 . . . . 0.0 109.495 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.2 m120 59.23 18.73 6.83 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 126.631 1.972 . . . . 0.0 113.769 179.089 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -96.07 101.13 12.75 Favored 'General case' 0 C--O 1.231 0.104 0 O-C-N 121.066 -1.021 . . . . 0.0 108.89 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.8 tp -60.5 -39.18 80.41 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.331 0 C-N-CA 123.337 0.655 . . . . 0.0 111.357 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -64.05 -37.92 89.2 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 119.227 0.922 . . . . 0.0 110.501 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 8.9 ttt -72.85 -49.6 29.18 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 178.692 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.85 -36.91 75.37 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.831 0.853 . . . . 0.0 111.148 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 43.5 mttt -57.17 -48.36 78.93 Favored 'General case' 0 CA--C 1.517 -0.3 0 C-N-CA 124.741 1.216 . . . . 0.0 108.058 178.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -59.17 -42.65 91.28 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-O 118.922 -0.561 . . . . 0.0 109.713 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 58.1 mt -57.51 -54.51 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 118.88 0.764 . . . . 0.0 109.154 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.4 mt -58.44 -44.8 89.31 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 122.767 0.427 . . . . 0.0 110.679 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -63.76 -19.03 64.65 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 126.15 1.78 . . . . 0.0 112.556 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -112.26 -27.38 8.35 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 114.946 1.462 . . . . 0.0 114.946 -178.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -109.96 -61.61 1.63 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.077 1.351 . . . . 0.0 113.285 -179.09 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.5 m . . . . . 0 CA--C 1.535 0.397 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 -178.449 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 mp . . . . . 0 C--O 1.226 -0.139 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 1.2 p -51.57 -60.39 3.21 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 126.164 1.786 . . . . 0.0 111.096 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.16 -35.2 78.07 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 125.057 1.343 . . . . 0.0 111.022 179.51 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -34.01 77.35 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 117.725 -1.131 . . . . 0.0 111.17 -178.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 39.4 mt -63.28 -46.29 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 N-CA-C 107.028 -1.471 . . . . 0.0 107.028 178.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -59.68 -35.73 75.05 Favored 'General case' 0 C--O 1.24 0.574 0 C-N-CA 123.911 0.884 . . . . 0.0 110.893 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 -68.14 -34.11 75.74 Favored 'General case' 0 N--CA 1.456 -0.161 0 O-C-N 121.681 -0.637 . . . . 0.0 109.726 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.428 HD21 ' HE2' ' B' ' 41' ' ' LYS . 42.8 mt -78.31 -37.25 45.11 Favored 'General case' 0 CA--C 1.523 -0.069 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 178.669 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 37.5 mtt -56.4 -39.98 73.89 Favored 'General case' 0 C--N 1.337 0.065 0 CA-C-N 119.006 0.821 . . . . 0.0 109.526 178.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 56.6 m -61.33 -18.52 58.99 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.434 0.902 . . . . 0.0 113.434 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -81.95 -32.65 30.66 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 119.591 1.087 . . . . 0.0 109.096 178.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.36 -0.16 6.4 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 125.657 1.599 . . . . 0.0 112.83 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -70.69 125.25 26.29 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 118.779 1.289 . . . . 0.0 107.702 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.7 m -65.9 156.71 32.63 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 122.956 0.502 . . . . 0.0 111.183 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -53.04 -49.0 67.19 Favored 'General case' 0 N--CA 1.458 -0.049 0 C-N-CA 123.756 0.822 . . . . 0.0 111.366 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -57.94 -45.11 87.1 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 123.527 0.731 . . . . 0.0 111.657 -179.352 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -64.52 -45.9 85.21 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 54.1 mt -57.63 -55.55 20.68 Favored 'Isoleucine or valine' 0 C--N 1.341 0.237 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' GLN . . . . . 0.402 ' O ' HG23 ' B' ' 31' ' ' VAL . 14.1 mm-40 -51.9 -53.96 34.84 Favored 'General case' 0 C--O 1.219 -0.505 0 C-N-CA 124.833 1.253 . . . . 0.0 110.82 179.227 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -54.68 -41.58 70.37 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 120.353 1.433 . . . . 0.0 110.143 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.25 -42.74 93.0 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 178.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 50.7 mt -67.88 2.19 2.15 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.105 1.362 . . . . 0.0 113.198 178.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 27' ' ' GLN . 89.4 t -112.91 -18.67 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 126.454 1.902 . . . . 0.0 110.447 177.249 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 36.1 mt -102.86 -33.95 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 O-C-N 121.071 -1.018 . . . . 0.0 113.3 -178.639 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.467 ' HB1' ' HB3' ' B' ' 39' ' ' MET . . . -83.89 11.4 7.73 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.801 1.641 . . . . 0.0 111.922 179.583 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 9.3 m170 52.07 50.91 17.49 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.957 1.703 . . . . 0.0 110.784 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 5.9 m120 59.69 11.38 2.4 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 130.058 3.343 . . . . 0.0 112.015 -179.116 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -76.82 97.59 4.58 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 106.168 -1.79 . . . . 0.0 106.168 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 5.6 tp -53.68 -42.05 49.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 124.332 1.053 . . . . 0.0 111.186 -178.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -62.8 -39.84 95.51 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 121.351 -0.843 . . . . 0.0 112.285 -178.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' MET . . . . . 0.467 ' HB3' ' HB1' ' B' ' 33' ' ' ALA . 6.5 ttt -70.76 -46.02 63.71 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 179.548 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.85 -39.51 85.44 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.288 0.494 . . . . 0.0 110.95 179.211 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' LYS . . . . . 0.428 ' HE2' HD21 ' B' ' 16' ' ' LEU . 80.2 mttt -55.95 -43.49 77.51 Favored 'General case' 0 N--CA 1.461 0.109 0 C-N-CA 124.268 1.027 . . . . 0.0 109.065 178.62 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -65.03 -39.21 93.03 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 118.665 -0.683 . . . . 0.0 110.499 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 49.9 mt -59.82 -60.87 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 CA-C-N 119.193 0.906 . . . . 0.0 108.845 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 62.5 mt -51.7 -47.85 63.77 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.426 1.491 . . . . 0.0 112.041 -178.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -58.87 -25.17 63.08 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -103.7 -55.85 2.31 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 118.872 0.76 . . . . 0.0 111.207 -179.161 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -74.09 -21.17 60.02 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 -178.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 CA--C 1.544 0.728 0 C-N-CA 125.931 1.692 . . . . 0.0 109.286 -179.429 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.53 0.203 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.0 p -60.76 -27.57 68.06 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.873 1.215 . . . . 0.0 111.17 178.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.6 m -76.52 -25.7 54.44 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.291 0.636 . . . . 0.0 110.313 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -80.49 -26.82 37.99 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 123.756 0.823 . . . . 0.0 111.21 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.6 mt -57.96 -41.36 80.01 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 178.135 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -57.58 -41.03 80.3 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 125.294 1.438 . . . . 0.0 111.471 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -68.55 -37.89 80.33 Favored 'General case' 0 C--N 1.341 0.215 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.0 mt -68.04 -35.57 78.48 Favored 'General case' 0 C--O 1.228 -0.056 0 C-N-CA 123.825 0.85 . . . . 0.0 110.804 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 46.9 mtt -57.54 -46.13 84.24 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.931 0.787 . . . . 0.0 108.891 178.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.0 t -58.81 -39.11 80.2 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 122.908 0.483 . . . . 0.0 109.807 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -64.85 -8.13 14.04 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.171 -0.956 . . . . 0.0 112.323 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.97 3.33 59.15 Favored Glycine 0 C--N 1.335 0.479 0 CA-C-O 117.516 -1.714 . . . . 0.0 114.38 178.255 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -78.85 145.92 33.96 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 120.525 2.162 . . . . 0.0 107.439 179.151 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.7 m -73.87 154.44 39.44 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 121.495 -0.753 . . . . 0.0 110.671 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -60.15 -43.31 95.85 Favored 'General case' 0 C--O 1.232 0.135 0 O-C-N 122.247 -0.283 . . . . 0.0 111.297 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -58.73 -52.58 65.11 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.34 -54.67 37.22 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.957 1.303 . . . . 0.0 109.03 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 70.1 mt -50.58 -50.93 20.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 124.015 0.926 . . . . 0.0 110.781 -179.427 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -65.38 -50.65 64.71 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.738 0.415 . . . . 0.0 111.142 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -55.44 -34.29 64.35 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 120.969 -1.082 . . . . 0.0 110.718 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.05 -48.74 77.4 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 178.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 79.1 mt -58.62 -46.45 87.02 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.683 0.793 . . . . 0.0 110.809 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.3 t -52.85 -47.32 52.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 124.27 1.028 . . . . 0.0 110.872 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.1 mt -79.98 -23.45 11.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 C-N-CA 124.065 0.946 . . . . 0.0 111.537 -178.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.12 10.23 22.6 Favored 'General case' 0 N--CA 1.448 -0.553 0 O-C-N 121.061 -1.024 . . . . 0.0 110.848 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 17.2 m170 52.84 46.95 25.74 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.476 1.111 . . . . 0.0 109.212 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 67.06 5.29 4.02 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 128.393 2.677 . . . . 0.0 113.816 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -73.41 103.79 4.19 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 119.315 0.961 . . . . 0.0 109.71 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.8 tp -61.44 -38.69 80.63 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.242 0 C-N-CA 123.642 0.777 . . . . 0.0 112.515 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -67.11 -42.84 83.84 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 123.857 0.863 . . . . 0.0 111.231 -178.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 9.9 ttt -64.84 -50.6 66.03 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 106.689 -1.597 . . . . 0.0 106.689 178.549 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.3 -41.14 79.29 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.227 1.011 . . . . 0.0 111.256 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.4 mttm -57.33 -41.49 80.08 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 123.849 0.86 . . . . 0.0 109.73 178.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -64.97 -42.66 94.38 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.128 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 58.8 mt -57.92 -55.75 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.4 mt -56.84 -36.14 69.64 Favored 'General case' 0 C--O 1.226 -0.183 0 C-N-CA 123.53 0.732 . . . . 0.0 112.516 -179.085 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -74.92 -29.26 60.92 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -102.42 -23.95 13.89 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 -178.254 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -102.49 -69.85 0.77 Allowed 'General case' 0 C--O 1.235 0.301 0 C-N-CA 124.497 1.119 . . . . 0.0 108.68 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.2 m . . . . . 0 CA--C 1.542 0.657 0 C-N-CA 123.626 0.771 . . . . 0.0 109.028 178.835 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.445 HD23 HD22 ' B' ' 30' ' ' LEU . 2.7 mp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 117.61 -1.186 . . . . 0.0 114.196 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 13.8 p -56.65 -39.46 73.75 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 120.156 1.343 . . . . 0.0 111.028 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -54.85 -32.21 60.42 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.762 1.625 . . . . 0.0 112.351 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -85.69 -24.92 26.8 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 121.507 -0.746 . . . . 0.0 110.093 179.237 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 42.3 mt -65.31 -42.27 93.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 N-CA-C 105.896 -1.891 . . . . 0.0 105.896 178.003 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -58.57 -36.14 73.48 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.481 0.712 . . . . 0.0 110.104 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -72.34 -40.93 67.01 Favored 'General case' 0 C--N 1.34 0.164 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 68.5 mt -65.88 -36.43 83.39 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.566 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 53.2 mtt -60.87 -39.14 88.07 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 177.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.89 -38.08 81.24 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.9 0.88 . . . . 0.0 109.573 178.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -69.95 -6.41 32.91 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.957 0.799 . . . . 0.0 111.255 178.397 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.34 -4.69 67.27 Favored Glycine 0 CA--C 1.522 0.482 0 C-N-CA 125.646 1.594 . . . . 0.0 114.645 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -61.9 145.28 53.27 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 118.96 1.38 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 64.0 m -78.23 144.64 36.05 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 178.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -55.84 -40.82 73.36 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 124.652 1.181 . . . . 0.0 110.963 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -60.04 -54.57 44.42 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -57.94 -42.95 85.95 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 119.124 0.875 . . . . 0.0 110.386 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 64.1 mt -59.0 -54.44 34.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-N 118.983 0.811 . . . . 0.0 109.418 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -62.2 -49.55 75.32 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.77 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -53.81 -39.35 65.44 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 120.634 1.561 . . . . 0.0 110.077 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.14 -50.52 63.71 Favored 'General case' 0 C--O 1.223 -0.331 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.445 HD22 HD23 ' B' ' 9' ' ' LEU . 41.1 mt -60.51 -28.7 68.59 Favored 'General case' 0 C--O 1.231 0.084 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 179.633 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 43.2 t -70.97 -58.35 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 179.135 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 47.7 mt -64.28 -29.65 47.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 124.433 1.093 . . . . 0.0 110.93 -178.405 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.0 1.48 23.75 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.221 -0.924 . . . . 0.0 110.612 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 22.9 m170 56.36 59.35 3.69 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 126.731 2.012 . . . . 0.0 108.775 -179.119 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 14.9 m120 59.49 16.35 5.18 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.482 1.913 . . . . 0.0 113.56 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -93.25 103.68 15.92 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 120.532 -1.355 . . . . 0.0 108.704 179.212 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 6.1 tp -63.37 -37.95 80.87 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.253 0 C-N-CA 124.411 1.084 . . . . 0.0 112.546 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -65.95 -45.75 80.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 119.016 0.826 . . . . 0.0 109.999 -178.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 12.1 ttt -64.28 -47.62 78.82 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 125.269 1.428 . . . . 0.0 107.17 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.74 -41.78 96.04 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.751 -0.593 . . . . 0.0 110.938 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -57.36 -35.06 69.46 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 123.698 0.799 . . . . 0.0 109.547 178.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -69.71 -41.13 75.76 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-O 118.406 -0.806 . . . . 0.0 109.588 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 51.7 mt -59.47 -48.58 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 N-CA-C 105.722 -1.955 . . . . 0.0 105.722 178.126 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 96.7 mt -66.87 2.37 1.45 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.392 1.077 . . . . 0.0 112.728 178.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 20.7 ttt85 -121.03 -2.52 9.68 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 120.079 1.309 . . . . 0.0 112.389 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -137.99 4.39 2.5 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.984 1.314 . . . . 0.0 111.739 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -134.75 -69.3 0.52 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.69 1.596 . . . . 0.0 109.784 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 72.8 m . . . . . 0 CA--C 1.541 0.631 0 C-N-CA 124.429 1.092 . . . . 0.0 108.59 179.384 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.5 tt . . . . . 0 N--CA 1.469 0.517 0 CA-C-O 118.251 -0.881 . . . . 0.0 112.958 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 72.4 m -54.3 -22.89 13.12 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.994 1.27 . . . . 0.0 113.129 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.1 m -71.67 -32.35 67.77 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.761 1.224 . . . . 0.0 110.726 179.12 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -71.56 -29.3 64.58 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.137 1.375 . . . . 0.0 110.47 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.498 HG23 HG21 ' A' ' 26' ' ' ILE . 43.0 mt -59.88 -45.25 95.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 178.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -63.41 -34.14 77.09 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.094 0.958 . . . . 0.0 110.509 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -72.1 -31.7 66.3 Favored 'General case' 0 C--N 1.346 0.418 0 CA-C-N 118.664 0.665 . . . . 0.0 109.439 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.3 mt -71.32 -39.26 71.5 Favored 'General case' 0 C--O 1.227 -0.099 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 178.491 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.7 mtt -56.07 -34.59 66.1 Favored 'General case' 0 CA--C 1.53 0.2 0 O-C-N 121.953 -0.467 . . . . 0.0 111.673 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.1 m -68.82 -12.25 61.32 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -99.54 -1.18 38.97 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.52 1.528 . . . . 0.0 112.285 -178.732 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.5 14.17 35.98 Favored Glycine 0 C--N 1.34 0.781 0 CA-C-O 118.83 -0.983 . . . . 0.0 114.21 179.205 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -96.7 124.18 40.6 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 118.704 1.252 . . . . 0.0 110.748 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.7 m -70.17 152.82 43.84 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.915 1.286 . . . . 0.0 112.026 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -52.99 -43.27 66.31 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.375 0.67 . . . . 0.0 111.982 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -57.62 -56.39 22.5 Favored 'General case' 0 C--O 1.226 -0.152 0 C-N-CA 124.141 0.976 . . . . 0.0 110.258 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -55.96 -43.71 77.78 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 124.729 1.212 . . . . 0.0 110.037 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.498 HG21 HG23 ' A' ' 13' ' ' ILE . 65.1 mt -57.59 -50.02 78.65 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 CA-C-N 118.755 0.707 . . . . 0.0 109.71 179.673 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -63.85 -38.82 92.51 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.636 0.653 . . . . 0.0 110.197 178.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -63.73 -42.45 97.89 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 120.705 -1.247 . . . . 0.0 109.472 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.76 -38.98 90.55 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.664 -0.647 . . . . 0.0 109.365 178.675 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.3 mt -63.62 -54.31 37.88 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 123.747 0.819 . . . . 0.0 111.407 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.5 p -56.7 -48.51 80.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 118.717 0.689 . . . . 0.0 110.566 -179.089 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 76.6 mt -63.31 -29.33 46.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 122.685 0.394 . . . . 0.0 110.308 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.25 15.05 9.59 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.977 0.911 . . . . 0.0 112.017 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.2 m170 55.7 41.29 30.56 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 119.949 1.25 . . . . 0.0 109.946 -178.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 65.51 6.56 3.83 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 128.216 2.606 . . . . 0.0 113.038 -179.054 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -70.74 100.77 1.95 Allowed 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.26 1.024 . . . . 0.0 108.619 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.8 tp -54.84 -46.14 75.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 C-N-CA 123.869 0.867 . . . . 0.0 111.586 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -59.82 -45.76 91.36 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 123.057 0.543 . . . . 0.0 111.718 -178.49 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.8 ttt -65.58 -49.48 68.67 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.917 1.287 . . . . 0.0 107.969 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.14 -38.36 76.4 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.412 0.685 . . . . 0.0 110.776 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -60.45 -42.12 95.52 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.378 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -63.02 -42.25 99.76 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 118.502 -0.761 . . . . 0.0 109.366 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 68.1 mt -54.83 -58.58 3.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.3 mt -54.51 -36.37 64.15 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 123.799 0.84 . . . . 0.0 112.349 -179.173 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 43.8 ttt180 -64.85 -34.39 78.27 Favored 'General case' 0 C--O 1.23 0.064 0 N-CA-C 114.309 1.225 . . . . 0.0 114.309 -179.132 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -100.28 -33.19 10.51 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 118.865 0.757 . . . . 0.0 112.245 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -89.27 -23.67 22.25 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 115.432 1.642 . . . . 0.0 115.432 -177.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.4 t . . . . . 0 C--O 1.236 0.389 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 -179.939 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 7.2 tt . . . . . 0 CA--C 1.534 0.338 0 CA-C-O 119.169 -0.443 . . . . 0.0 110.099 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 3.3 m -58.12 -38.48 76.59 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 119.1 0.864 . . . . 0.0 111.078 178.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 50.7 m -59.86 -35.18 74.26 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.925 0.784 . . . . 0.0 109.774 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -73.45 -32.62 64.46 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.36 0.664 . . . . 0.0 110.499 179.404 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 82.1 mt -60.44 -45.09 97.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 CA-C-N 119.757 1.162 . . . . 0.0 109.007 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -60.45 -30.6 69.76 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.249 0.22 . . . . 0.0 111.064 -179.249 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -68.4 -38.92 81.73 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 121.206 -0.934 . . . . 0.0 109.789 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 20.0 mt -63.01 -30.01 71.27 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 119.057 -0.497 . . . . 0.0 110.551 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 34.7 mtt -63.75 -30.68 71.75 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.26 0.936 . . . . 0.0 110.237 179.042 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 71.1 m -65.67 -29.19 69.72 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.559 0.618 . . . . 0.0 109.907 178.45 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -82.91 4.78 24.25 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.834 0.854 . . . . 0.0 111.427 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.74 1.6 85.13 Favored Glycine 0 C--N 1.338 0.662 0 C-N-CA 126.105 1.812 . . . . 0.0 115.082 178.094 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -72.97 138.72 46.25 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 118.592 1.196 . . . . 0.0 110.571 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 75.7 m -78.3 145.85 35.12 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 124.475 1.11 . . . . 0.0 108.945 179.109 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -53.48 -41.56 66.34 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.193 0.997 . . . . 0.0 111.615 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -60.45 -47.02 87.93 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 118.6 0.636 . . . . 0.0 110.23 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' ASP . . . . . 0.564 ' HA ' ' HE3' ' B' ' 28' ' ' LYS . 52.9 m-20 -60.42 -46.16 91.03 Favored 'General case' 0 CA--C 1.521 -0.168 0 C-N-CA 123.862 0.865 . . . . 0.0 108.691 178.514 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 50.3 mt -57.04 -47.7 83.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -62.15 -50.43 71.9 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 117.869 -1.062 . . . . 0.0 111.26 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.564 ' HE3' ' HA ' ' B' ' 25' ' ' ASP . 43.6 mtmt -55.23 -46.48 75.98 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 124.848 1.259 . . . . 0.0 109.717 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.32 -42.43 98.67 Favored 'General case' 0 C--O 1.223 -0.312 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 24.7 mt -65.16 -29.01 69.81 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-O 117.973 -1.013 . . . . 0.0 111.727 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 39.5 t -72.51 -55.63 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.099 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 178.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 55.5 mt -62.84 -24.71 36.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 C-N-CA 124.79 1.236 . . . . 0.0 112.12 -178.504 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.06 5.58 40.37 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 120.759 -1.213 . . . . 0.0 110.087 178.302 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 17.2 m170 54.2 58.51 4.92 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.284 1.834 . . . . 0.0 108.138 -178.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 13.8 m120 60.13 6.94 1.07 Allowed 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 128.293 2.637 . . . . 0.0 113.893 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -82.06 104.31 12.32 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 120.66 -1.275 . . . . 0.0 111.353 -179.14 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 4.6 tp -60.44 -39.54 81.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 123.644 0.778 . . . . 0.0 112.16 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -59.0 -47.77 84.01 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 119.215 0.916 . . . . 0.0 110.744 -179.087 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 12.0 ttt -66.33 -46.28 77.4 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 124.858 1.263 . . . . 0.0 108.682 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.65 -39.79 85.57 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.284 0.493 . . . . 0.0 111.333 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -56.77 -45.5 82.07 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -62.88 -37.75 88.14 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-O 118.074 -0.965 . . . . 0.0 111.982 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 68.2 mt -59.2 -57.21 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-N 119.888 1.222 . . . . 0.0 107.868 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 31.2 mt -56.79 -35.0 68.21 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 125.127 1.371 . . . . 0.0 111.026 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 36.4 ttt180 -63.53 -27.3 69.17 Favored 'General case' 0 C--O 1.228 -0.067 0 N-CA-C 114.325 1.232 . . . . 0.0 114.325 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -109.67 -47.82 3.31 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 119.894 1.225 . . . . 0.0 111.324 -178.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -72.63 -59.39 2.74 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 122.976 0.51 . . . . 0.0 111.429 -179.105 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.536 0.418 0 CA-C-O 122.123 0.963 . . . . 0.0 110.838 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.4 mp . . . . . 0 CA--C 1.531 0.217 0 CA-C-O 118.537 -0.744 . . . . 0.0 112.274 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.6 m -65.0 -29.96 70.92 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 120.232 1.378 . . . . 0.0 109.526 178.36 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 56.8 m -68.24 -19.73 64.76 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 118.79 0.723 . . . . 0.0 110.542 178.604 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -78.57 -26.58 45.59 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.045 -1.035 . . . . 0.0 108.834 179.006 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.49 -45.85 97.78 Favored 'Isoleucine or valine' 0 C--N 1.343 0.304 0 N-CA-C 105.712 -1.959 . . . . 0.0 105.712 178.38 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -59.74 -28.37 67.3 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.632 0.773 . . . . 0.0 111.105 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -84.91 -34.67 22.49 Favored 'General case' 0 C--N 1.342 0.257 0 CA-C-N 119.037 0.835 . . . . 0.0 110.856 179.117 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.489 HD21 ' HG2' ' A' ' 41' ' ' LYS . 20.0 mt -69.14 -33.02 72.79 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 118.762 -0.637 . . . . 0.0 110.185 179.047 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.0 mtt -53.34 -44.77 68.76 Favored 'General case' 0 C--N 1.341 0.208 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.528 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 m -60.14 1.11 0.12 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 127.249 2.22 . . . . 0.0 115.502 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -111.9 -7.58 14.15 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.604 1.162 . . . . 0.0 110.915 178.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.14 -4.22 31.64 Favored Glycine 0 C--N 1.337 0.631 0 C-N-CA 125.541 1.543 . . . . 0.0 113.901 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -76.79 118.22 19.18 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 118.946 1.373 . . . . 0.0 108.274 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.4 m -66.46 155.89 36.27 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -50.52 -43.92 56.08 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.752 0.821 . . . . 0.0 112.316 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -60.24 -45.24 93.93 Favored 'General case' 0 C--O 1.224 -0.266 0 C-N-CA 123.083 0.553 . . . . 0.0 110.814 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -61.48 -46.49 89.81 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.8 mt -58.8 -46.48 90.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -59.89 -51.39 69.89 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 124.646 1.178 . . . . 0.0 110.535 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.3 mtpt -56.71 -46.09 81.46 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 124.109 0.964 . . . . 0.0 109.453 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.19 -41.49 97.07 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 118.864 0.756 . . . . 0.0 110.458 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 27.6 mt -61.73 -54.4 43.08 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 118.754 0.706 . . . . 0.0 111.844 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.6 p -57.49 -39.53 69.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 CA-C-N 118.661 0.664 . . . . 0.0 111.646 -178.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.435 HD11 ' HG3' ' B' ' 46' ' ' GLU . 66.8 mt -71.39 -33.18 49.13 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 O-C-N 121.425 -0.797 . . . . 0.0 110.078 179.514 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.31 4.05 32.85 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.177 1.391 . . . . 0.0 111.807 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 21.7 m170 58.48 53.36 6.28 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.488 1.515 . . . . 0.0 108.474 -178.409 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 44.5 t30 62.42 6.01 1.8 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 127.817 2.447 . . . . 0.0 114.001 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -75.06 103.65 5.33 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 119.106 0.867 . . . . 0.0 108.717 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 8.6 tp -60.88 -40.42 85.18 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 123.27 0.628 . . . . 0.0 112.616 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.42 -40.26 95.98 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 119.284 0.947 . . . . 0.0 111.096 -178.426 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 21.1 ttt -74.05 -46.96 39.98 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 125.174 1.39 . . . . 0.0 108.204 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.72 -38.57 78.64 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.228 1.011 . . . . 0.0 110.568 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.489 ' HG2' HD21 ' A' ' 16' ' ' LEU . 69.8 mttt -59.57 -43.09 93.7 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 118.14 -0.934 . . . . 0.0 109.468 178.721 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -60.0 -44.4 94.57 Favored 'General case' 0 N--CA 1.458 -0.031 0 CA-C-O 118.555 -0.736 . . . . 0.0 109.704 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 63.7 mt -53.94 -55.91 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.4 mt -58.84 -41.1 86.14 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 123.499 0.719 . . . . 0.0 112.902 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -73.73 -6.83 49.32 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 116.103 1.89 . . . . 0.0 116.103 -178.03 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.533 ' HB3' ' HE3' ' B' ' 28' ' ' LYS . 44.1 mm-40 -120.13 -40.42 2.72 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -179.345 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -92.24 -31.0 15.59 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 119.228 0.922 . . . . 0.0 111.417 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.2 m . . . . . 0 C--O 1.239 0.548 0 C-N-CA 124.823 1.249 . . . . 0.0 108.064 179.335 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 9.8 mp . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 15.8 m -55.01 -38.36 67.79 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 124.801 1.241 . . . . 0.0 109.837 178.352 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.78 -41.79 64.65 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.531 1.532 . . . . 0.0 110.3 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -63.18 -38.73 92.33 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.4 1.08 . . . . 0.0 110.243 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 50.3 mt -58.18 -41.67 81.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 C-N-CA 124.803 1.241 . . . . 0.0 108.817 179.331 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -65.9 -25.35 67.12 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 121.759 -0.588 . . . . 0.0 111.576 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -80.98 -26.14 36.78 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 119.359 0.981 . . . . 0.0 109.534 178.625 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 14.7 mt -68.56 -37.01 79.55 Favored 'General case' 0 C--O 1.232 0.16 0 O-C-N 121.378 -0.826 . . . . 0.0 109.076 179.062 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 54.4 mtt -55.8 -40.12 72.26 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 123.648 0.779 . . . . 0.0 109.833 178.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 2.7 m -57.94 -18.91 26.43 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.529 1.531 . . . . 0.0 112.9 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -93.39 -22.41 18.94 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 119.531 1.059 . . . . 0.0 110.832 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.52 -20.81 5.47 Favored Glycine 0 C--N 1.337 0.637 0 C-N-CA 124.502 1.048 . . . . 0.0 114.226 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -58.04 122.02 12.03 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 9.7 m -68.78 158.24 34.76 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.967 0.413 . . . . 0.0 110.289 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -55.66 -45.2 77.75 Favored 'General case' 0 N--CA 1.455 -0.201 0 O-C-N 121.676 -0.64 . . . . 0.0 111.72 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -62.02 -39.8 93.53 Favored 'General case' 0 N--CA 1.457 -0.093 0 CA-C-O 118.938 -0.553 . . . . 0.0 111.101 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -63.54 -47.59 80.97 Favored 'General case' 0 CA--C 1.52 -0.175 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.438 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 53.9 mt -58.47 -51.76 67.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -57.06 -44.12 82.74 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 118.688 0.676 . . . . 0.0 110.473 179.269 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.533 ' HE3' ' HB3' ' A' ' 46' ' ' GLU . 34.2 mtpt -60.0 -46.59 88.98 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 123.699 0.8 . . . . 0.0 109.727 179.281 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.75 -46.5 87.76 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.566 -0.709 . . . . 0.0 109.597 179.29 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -57.96 -56.8 17.37 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.58 0.752 . . . . 0.0 111.718 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 6.0 p -56.09 -47.31 80.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 118.228 0.467 . . . . 0.0 111.901 -178.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 88.9 mt -65.12 -33.78 66.08 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 CA-C-O 119.018 -0.515 . . . . 0.0 110.034 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.93 12.48 1.35 Allowed 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.055 0.843 . . . . 0.0 111.171 178.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 19.9 m170 60.52 34.88 20.29 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.55 1.54 . . . . 0.0 108.401 -178.236 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 61.2 t30 76.32 4.97 3.67 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 129.748 3.219 . . . . 0.0 113.364 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -75.34 105.25 6.27 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 120.465 -1.397 . . . . 0.0 109.427 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 6.6 tp -57.48 -39.4 68.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 125.218 1.407 . . . . 0.0 113.463 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -65.4 -47.1 77.45 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 124.148 0.979 . . . . 0.0 110.13 -178.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 15.2 ttt -65.83 -41.65 91.52 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 125.636 1.574 . . . . 0.0 108.174 179.098 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.86 -36.08 83.19 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.236 1.015 . . . . 0.0 111.218 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -61.91 -40.09 94.26 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -62.4 -40.34 96.2 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-O 118.522 -0.751 . . . . 0.0 109.407 178.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 69.9 mt -58.13 -55.88 19.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 62.1 mt -55.56 -49.24 73.21 Favored 'General case' 0 C--O 1.223 -0.33 0 C-N-CA 123.136 0.575 . . . . 0.0 110.968 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 33.1 ttm-85 -61.36 -41.51 97.19 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.435 ' HG3' HD11 ' A' ' 32' ' ' ILE . 65.6 mm-40 -79.64 -31.4 41.54 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 115.826 1.788 . . . . 0.0 115.826 -177.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -107.17 -51.18 2.96 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 119.56 1.073 . . . . 0.0 112.967 -178.433 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 14.0 m . . . . . 0 CA--C 1.537 0.443 0 C-N-CA 125.252 1.421 . . . . 0.0 110.938 -179.701 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 mm? . . . . . 0 C--O 1.227 -0.117 0 N-CA-C 115.72 1.748 . . . . 0.0 115.72 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.55 -47.06 76.97 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 121.165 1.802 . . . . 0.0 110.302 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.3 p -69.63 -31.22 69.19 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 125.34 1.456 . . . . 0.0 110.813 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -66.57 -27.55 67.82 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 121.283 -0.886 . . . . 0.0 110.386 178.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.5 mt -66.22 -46.53 87.16 Favored 'Isoleucine or valine' 0 C--N 1.341 0.221 0 N-CA-C 105.557 -2.016 . . . . 0.0 105.557 178.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -57.41 -42.23 81.87 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 117.989 0.359 . . . . 0.0 110.546 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -60.78 -33.33 72.81 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 118.979 -0.534 . . . . 0.0 110.061 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 16' ' ' LEU . 32.8 mt -76.56 -24.57 53.57 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 119.061 0.846 . . . . 0.0 111.86 179.106 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 64.3 mtt -60.33 -32.22 71.04 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.0 m -64.21 -13.24 47.62 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 125.773 1.629 . . . . 0.0 113.416 179.2 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -93.51 -19.17 21.49 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.913 0.779 . . . . 0.0 109.437 178.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.51 6.3 27.23 Favored Glycine 0 CA--C 1.534 1.265 0 CA-C-O 118.573 -1.126 . . . . 0.0 113.998 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -81.35 151.07 28.16 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 119.272 1.536 . . . . 0.0 107.625 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.9 m -86.86 152.01 22.83 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.713 -0.617 . . . . 0.0 110.964 179.407 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -51.25 -49.86 60.33 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 124.81 1.244 . . . . 0.0 112.191 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -60.42 -48.61 81.0 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.545 0.738 . . . . 0.0 110.871 -178.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -56.13 -44.9 79.63 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.989 0.813 . . . . 0.0 109.658 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.0 mt -59.76 -45.13 94.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -63.49 -41.01 98.56 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.956 0.798 . . . . 0.0 110.516 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -62.45 -48.1 81.12 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 120.294 1.406 . . . . 0.0 108.278 178.622 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.39 -40.46 86.66 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.746 -0.596 . . . . 0.0 110.945 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 22.5 mt -65.93 -48.53 71.06 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-O 118.072 -0.966 . . . . 0.0 112.347 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.2 -39.42 85.19 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 CA-C-N 119.293 0.952 . . . . 0.0 111.333 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.462 HD11 ' HG3' ' B' ' 46' ' ' GLU . 48.7 mt -71.2 -27.49 29.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 O-C-N 121.05 -1.032 . . . . 0.0 109.152 179.381 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.24 12.79 14.98 Favored 'General case' 0 N--CA 1.449 -0.523 0 O-C-N 120.966 -1.084 . . . . 0.0 111.109 179.085 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 10.3 m170 51.82 53.43 12.65 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 122.864 1.316 . . . . 0.0 110.266 -179.368 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 63.18 4.32 1.58 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 127.416 2.287 . . . . 0.0 113.601 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -77.27 106.17 8.84 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 120.302 1.41 . . . . 0.0 110.502 -179.131 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.1 tp -59.98 -43.24 91.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 123.939 0.895 . . . . 0.0 112.894 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -62.77 -46.45 87.94 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 119.772 1.169 . . . . 0.0 111.401 -178.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 16.3 ttt -63.01 -49.03 76.28 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.38 -42.33 81.92 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.885 0.874 . . . . 0.0 111.399 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -58.57 -41.73 86.36 Favored 'General case' 0 C--O 1.233 0.231 0 O-C-N 121.604 -0.685 . . . . 0.0 109.572 179.046 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -65.04 -37.23 86.91 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-O 117.907 -1.044 . . . . 0.0 109.682 179.15 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.4 mt -58.9 -54.83 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 106.209 -1.774 . . . . 0.0 106.209 178.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.0 mt -56.28 -35.99 68.1 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.315 0.646 . . . . 0.0 112.327 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.95 -36.74 84.94 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 119.721 1.146 . . . . 0.0 113.71 -179.111 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -104.08 -18.5 14.52 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -179.252 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -112.12 -17.35 12.84 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 CA--C 1.54 0.569 0 C-N-CA 126.296 1.838 . . . . 0.0 108.11 -179.704 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 10.2 mp . . . . . 0 N--CA 1.462 0.172 0 CA-C-O 118.342 -0.837 . . . . 0.0 112.341 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.87 -45.43 71.0 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.348 1.059 . . . . 0.0 111.329 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 15.8 p -62.11 -30.2 70.85 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.07 0.548 . . . . 0.0 111.927 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -78.64 -23.15 45.97 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.444 1.098 . . . . 0.0 111.777 -178.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 67.2 mt -66.91 -49.32 75.03 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 N-CA-C 106.051 -1.833 . . . . 0.0 106.051 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -60.29 -30.46 69.48 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 122.163 -0.336 . . . . 0.0 111.54 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 79.5 mtt180 -70.81 -37.93 73.29 Favored 'General case' 0 C--N 1.34 0.175 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 20.8 mt -70.94 -31.01 67.48 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 118.924 -0.56 . . . . 0.0 111.187 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 17.9 mtt -57.86 -33.0 68.2 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 118.761 0.71 . . . . 0.0 111.069 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 10.6 m -61.36 -23.15 65.57 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.728 0.811 . . . . 0.0 112.553 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -87.12 -1.81 58.16 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.384 -0.823 . . . . 0.0 111.138 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.65 -0.2 56.65 Favored Glycine 0 CA--C 1.523 0.576 0 CA-C-O 118.347 -1.252 . . . . 0.0 114.54 179.064 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -73.79 123.72 24.7 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 119.142 1.471 . . . . 0.0 108.846 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 6.0 m -62.81 155.96 25.34 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 118.504 0.593 . . . . 0.0 109.547 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -57.56 -47.16 82.84 Favored 'General case' 0 C--O 1.232 0.169 0 O-C-N 121.611 -0.681 . . . . 0.0 110.97 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -61.6 -43.44 98.86 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 118.61 -0.71 . . . . 0.0 110.952 -178.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -54.95 -50.52 68.69 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 31.3 mt -58.5 -44.53 89.26 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 O-C-N 121.093 -1.004 . . . . 0.0 109.072 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -59.92 -47.72 84.64 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.509 -0.744 . . . . 0.0 111.305 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -61.75 -46.96 87.36 Favored 'General case' 0 CA--C 1.52 -0.181 0 C-N-CA 123.653 0.781 . . . . 0.0 109.525 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.76 -43.89 97.41 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 119.047 -0.501 . . . . 0.0 109.953 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 33.6 mt -63.32 -47.3 82.78 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 119.103 0.865 . . . . 0.0 113.322 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 9.9 p -64.52 -47.04 90.85 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 CA-C-O 118.629 -0.701 . . . . 0.0 109.915 -179.153 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 58.5 mt -65.23 -35.47 75.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.47 1.96 15.08 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.132 -0.98 . . . . 0.0 111.944 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 31.9 m170 60.95 56.51 2.83 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 126.128 1.771 . . . . 0.0 110.435 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 56.5 29.6 15.69 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 126.357 1.863 . . . . 0.0 113.382 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -106.22 103.6 13.11 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 7.2 tp -60.77 -37.3 75.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 C-N-CA 123.374 0.67 . . . . 0.0 112.526 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -70.25 -36.82 74.71 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.506 1.048 . . . . 0.0 112.368 -178.52 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 12.7 ttt -73.39 -48.9 30.28 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 106.497 -1.668 . . . . 0.0 106.497 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.38 -39.66 84.07 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.973 0.909 . . . . 0.0 110.088 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -55.88 -43.9 77.62 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 123.717 0.807 . . . . 0.0 108.999 178.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 46.6 m-20 -65.26 -36.21 83.43 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-O 118.585 -0.721 . . . . 0.0 110.444 178.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.414 ' HA ' HD13 ' A' ' 32' ' ' ILE . 68.6 mt -60.71 -50.7 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 178.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.71 -37.87 83.15 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.329 0.652 . . . . 0.0 111.873 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -68.46 -33.23 73.82 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 -178.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' GLU . . . . . 0.462 ' HG3' HD11 ' A' ' 32' ' ' ILE . 29.9 mm-40 -92.95 -53.24 4.23 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.602 0.637 . . . . 0.0 112.536 -178.671 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -78.23 -51.71 9.77 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 121.637 -0.665 . . . . 0.0 111.774 -178.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.546 0.792 0 C-N-CA 124.272 1.029 . . . . 0.0 110.75 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.6 mp . . . . . 0 N--CA 1.469 0.52 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.63 -29.69 62.48 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.931 1.292 . . . . 0.0 109.7 178.592 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 62.9 p -63.56 -42.42 98.34 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.855 1.207 . . . . 0.0 109.973 178.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -64.17 -34.01 77.09 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.162 1.385 . . . . 0.0 110.739 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 59.9 mt -59.69 -45.5 94.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.198 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -65.45 -17.32 64.46 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 123.048 0.539 . . . . 0.0 111.946 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -87.85 -38.27 15.81 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 178.648 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.1 mt -61.19 -34.5 75.17 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 33.6 mtt -60.39 -40.0 89.3 Favored 'General case' 0 C--N 1.339 0.151 0 CA-C-N 118.43 0.559 . . . . 0.0 110.37 178.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.7 t -66.92 -25.7 66.5 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -73.21 -29.08 62.55 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 119.241 0.928 . . . . 0.0 109.747 178.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 133.18 -20.65 4.2 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 124.748 1.166 . . . . 0.0 113.529 179.216 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -67.13 131.84 46.61 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.449 1.124 . . . . 0.0 111.992 -178.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.21 153.06 43.54 Favored 'General case' 0 CA--C 1.53 0.192 0 O-C-N 121.781 -0.574 . . . . 0.0 110.14 179.494 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -59.62 -37.68 79.28 Favored 'General case' 0 C--O 1.236 0.382 0 O-C-N 121.532 -0.73 . . . . 0.0 110.826 179.089 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -58.58 -54.91 41.76 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.91 -52.44 57.68 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 127.897 2.479 . . . . 0.0 109.921 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 55.1 mt -53.3 -54.45 17.84 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 C-N-CA 124.324 1.05 . . . . 0.0 110.325 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -64.59 -50.81 65.77 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 117.428 -1.273 . . . . 0.0 109.866 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -48.61 -41.9 32.36 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 120.427 1.467 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.91 -47.27 63.1 Favored 'General case' 0 C--O 1.228 -0.075 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.2 mt -56.61 -47.56 79.35 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-O 117.982 -1.009 . . . . 0.0 111.061 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.9 t -54.62 -53.04 35.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-N 119.37 0.986 . . . . 0.0 109.487 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.16 -36.39 75.78 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 C-N-CA 123.324 0.65 . . . . 0.0 110.399 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.24 15.65 1.15 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.098 1.359 . . . . 0.0 112.201 179.325 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 55.45 38.72 30.66 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 120.082 1.31 . . . . 0.0 109.961 -178.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 33.6 m120 65.8 16.76 10.62 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 128.705 2.802 . . . . 0.0 113.355 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -81.18 111.27 17.45 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.424 1.09 . . . . 0.0 108.385 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.1 tp -61.52 -42.37 93.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 124.294 1.037 . . . . 0.0 113.745 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -66.72 -46.06 76.72 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.15 -0.969 . . . . 0.0 110.424 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 16.3 ttt -61.94 -48.74 79.08 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.74 -39.84 86.11 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.506 0.723 . . . . 0.0 111.261 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -57.75 -43.18 85.24 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 123.505 0.722 . . . . 0.0 109.897 178.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -62.37 -42.35 99.34 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 123.923 0.764 . . . . 0.0 109.022 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 39.2 mt -57.21 -55.69 19.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.3 mt -55.04 -45.56 75.23 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.271 0.628 . . . . 0.0 111.683 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.6 ttt180 -64.23 -40.27 95.69 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -178.596 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -89.59 -22.98 22.08 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 115.615 1.709 . . . . 0.0 115.615 -178.467 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -112.21 -20.86 11.73 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 119.945 1.248 . . . . 0.0 113.78 -179.011 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.6 t . . . . . 0 CA--C 1.539 0.534 0 C-N-CA 125.238 1.415 . . . . 0.0 109.089 179.459 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 10.9 mp . . . . . 0 N--CA 1.478 0.955 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.15 -32.18 54.62 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.73 1.212 . . . . 0.0 110.334 178.581 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 13.4 p -65.26 -42.69 92.98 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 118.432 0.56 . . . . 0.0 110.344 178.623 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -64.69 -38.31 90.55 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 90.4 mt -61.41 -43.24 96.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 N-CA-C 107.548 -1.278 . . . . 0.0 107.548 178.421 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -62.86 -38.47 90.96 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 118.604 0.638 . . . . 0.0 109.949 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 -68.3 -36.76 79.83 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 118.143 -0.932 . . . . 0.0 109.967 179.446 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 85.6 mt -66.55 -39.43 88.53 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 14.5 mtm -63.18 -43.42 98.27 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 178.178 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 9.5 t -62.32 -38.72 90.55 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.145 0.978 . . . . 0.0 109.312 178.693 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -59.02 -35.17 72.83 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-N 119.443 1.02 . . . . 0.0 109.979 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 145.17 -5.01 1.39 Allowed Glycine 0 C--N 1.337 0.623 0 CA-C-O 118.511 -1.161 . . . . 0.0 113.864 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -82.93 165.33 19.82 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 119.455 1.627 . . . . 0.0 110.831 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 55.7 m -102.81 152.35 21.36 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 125.19 1.396 . . . . 0.0 108.797 179.243 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -55.33 -36.56 66.38 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.542 0.337 . . . . 0.0 111.011 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -54.31 -63.87 1.01 Allowed 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.554 1.142 . . . . 0.0 111.3 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -57.12 -44.86 83.72 Favored 'General case' 0 CA--C 1.517 -0.319 0 C-N-CA 124.867 1.267 . . . . 0.0 111.474 -178.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 31.4 mt -59.85 -46.91 93.25 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -63.75 -55.43 23.27 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 118.701 -0.666 . . . . 0.0 110.227 179.018 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mtpp -50.79 -39.51 52.92 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.299 0.954 . . . . 0.0 110.702 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.43 -53.84 17.33 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-O 118.317 -0.849 . . . . 0.0 108.766 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 15.0 mt -52.33 -47.2 66.15 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.232 1.413 . . . . 0.0 112.246 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 55.0 t -56.43 -57.69 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 C-N-CA 125.484 1.514 . . . . 0.0 108.504 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 62.0 mt -66.81 -25.27 34.22 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 C-N-CA 123.06 0.544 . . . . 0.0 110.424 -179.397 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.74 15.33 3.3 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.755 1.622 . . . . 0.0 111.885 179.27 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 52.66 45.77 28.02 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.322 1.049 . . . . 0.0 110.756 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 27.5 m120 62.45 25.39 15.14 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.389 1.876 . . . . 0.0 113.808 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -99.33 110.27 22.8 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.73 1.212 . . . . 0.0 108.816 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 5.0 tp -62.26 -37.26 78.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 124.48 1.112 . . . . 0.0 113.097 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -72.67 -45.01 61.04 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 124.168 0.987 . . . . 0.0 111.38 -178.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 19.1 ttt -60.64 -46.39 90.49 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 178.449 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.34 -37.87 81.99 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 118.612 -0.708 . . . . 0.0 110.363 178.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -61.17 -39.89 91.83 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 120.351 1.432 . . . . 0.0 109.329 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -60.98 -42.14 97.78 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 57.6 mt -60.25 -50.03 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 N-CA-C 106.884 -1.524 . . . . 0.0 106.884 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.25 -6.78 7.46 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.499 0.719 . . . . 0.0 112.342 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -96.48 -66.07 0.93 Allowed 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 119.847 1.203 . . . . 0.0 109.959 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -74.4 0.39 14.68 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 115.111 1.522 . . . . 0.0 115.111 -177.492 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -134.88 -58.86 0.8 Allowed 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 119.003 0.82 . . . . 0.0 109.589 178.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 CA--C 1.54 0.574 0 O-C-N 121.986 -0.446 . . . . 0.0 112.175 -179.513 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.553 0 N-CA-C 109.137 -1.585 . . . . 0.0 109.137 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t -48.46 138.54 10.15 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.403 1.481 . . . . 0.0 111.106 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.7 p -70.41 -54.32 12.89 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 122.569 0.348 . . . . 0.0 111.692 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.51 -46.11 1.08 Allowed Glycine 0 C--N 1.337 0.585 0 C-N-CA 124.589 1.09 . . . . 0.0 112.465 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.5 m -134.33 169.99 16.4 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 125.472 1.509 . . . . 0.0 109.434 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 p -142.78 165.81 26.36 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 126.63 1.972 . . . . 0.0 108.594 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.59 -24.12 1.51 Allowed Glycine 0 CA--C 1.527 0.832 0 C-N-CA 124.747 1.165 . . . . 0.0 111.382 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -146.85 169.57 18.85 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 125.868 1.667 . . . . 0.0 108.907 178.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 tp -129.8 -23.2 2.85 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 126.771 2.028 . . . . 0.0 108.548 178.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.2 m -57.61 -31.07 65.85 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.206 1.402 . . . . 0.0 108.82 178.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.2 p -57.06 -21.23 29.94 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 127.614 2.366 . . . . 0.0 111.528 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -102.68 -29.55 11.45 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 125.009 1.324 . . . . 0.0 110.851 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.455 HG23 HG21 ' A' ' 26' ' ' ILE . 76.6 mt -61.52 -42.74 95.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 178.075 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -60.42 -37.55 81.23 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 125.11 1.364 . . . . 0.0 110.711 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 83.0 mtt-85 -74.82 -33.6 62.22 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 121.451 -0.781 . . . . 0.0 110.395 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.52 HD21 ' HG2' ' A' ' 41' ' ' LYS . 64.4 mt -67.52 -30.68 70.41 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 118.662 -0.685 . . . . 0.0 110.703 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 55.6 mtt -61.26 -40.58 94.61 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 177.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.4 t -57.49 -44.0 84.62 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.245 1.418 . . . . 0.0 110.349 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -63.4 -19.65 64.86 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.402 0.681 . . . . 0.0 112.335 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.83 2.02 34.37 Favored Glycine 0 C--N 1.335 0.504 0 CA-C-O 118.313 -1.27 . . . . 0.0 112.935 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -75.47 131.27 40.01 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 106.591 -1.633 . . . . 0.0 106.591 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.7 t -69.38 161.25 29.77 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 118.527 0.603 . . . . 0.0 110.707 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -56.11 -43.49 78.19 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -61.52 -48.01 83.0 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 123.292 0.637 . . . . 0.0 110.604 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -56.71 -47.11 80.65 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.139 0.976 . . . . 0.0 110.296 -179.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.455 HG21 HG23 ' A' ' 13' ' ' ILE . 57.1 mt -57.73 -50.83 76.24 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -60.77 -55.48 32.66 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-O 118.432 -0.794 . . . . 0.0 110.573 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -48.21 -41.26 26.84 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.58 1.082 . . . . 0.0 111.051 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.01 -46.0 69.11 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 118.633 0.651 . . . . 0.0 109.598 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 23.2 mt -57.79 -45.66 85.72 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 118.903 0.774 . . . . 0.0 110.526 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 83.7 t -55.9 -48.94 77.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 C-N-CA 124.727 1.211 . . . . 0.0 111.222 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.518 HD13 ' HA ' ' B' ' 43' ' ' ILE . 32.8 mt -74.67 -32.15 28.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 C-N-CA 123.488 0.715 . . . . 0.0 110.814 -178.625 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.31 2.76 20.3 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.148 0.979 . . . . 0.0 111.959 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 42.5 m170 59.33 49.96 8.3 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.933 1.693 . . . . 0.0 109.306 -178.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.8 m120 62.47 15.92 8.23 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 129.424 3.09 . . . . 0.0 113.978 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -80.81 105.73 12.27 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.7 tp -62.92 -38.31 81.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 118.879 0.763 . . . . 0.0 112.052 -179.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -62.76 -50.44 71.04 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 119.875 1.216 . . . . 0.0 110.719 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 16.2 ttt -60.55 -44.74 95.8 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 125.161 1.384 . . . . 0.0 108.045 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.1 -41.05 99.3 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 122.841 0.456 . . . . 0.0 110.637 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.52 ' HG2' HD21 ' A' ' 16' ' ' LEU . 43.2 mttm -61.77 -41.12 97.29 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 178.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -59.37 -43.4 92.87 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 123.455 0.702 . . . . 0.0 110.308 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 97.0 mt -54.74 -55.45 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 72.1 mt -56.65 -43.59 80.49 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.34 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 -66.37 -17.69 64.92 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -117.08 -10.96 10.79 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 120.376 1.444 . . . . 0.0 112.195 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -123.56 -47.97 1.95 Allowed 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.0 t -84.32 -9.38 58.52 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.799 0.84 . . . . 0.0 109.897 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.18 -176.21 40.66 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 126.525 2.012 . . . . 0.0 110.377 178.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -73.74 106.03 2.12 Favored 'Trans proline' 0 N--CA 1.454 -0.796 0 C-N-CA 122.995 2.463 . . . . 0.0 111.315 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.9 t -60.9 -43.44 98.53 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 179.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.0 m -127.0 153.06 46.4 Favored 'General case' 0 C--O 1.241 0.613 0 N-CA-C 107.532 -1.285 . . . . 0.0 107.532 178.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.219 0 N-CA-C 108.116 -1.994 . . . . 0.0 108.116 -179.225 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.659 0 CA-C-O 118.099 -1.389 . . . . 0.0 109.83 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 4.7 m -13.83 102.4 0.02 OUTLIER 'General case' 0 C--O 1.236 0.363 0 C-N-CA 129.252 3.021 . . . . 0.0 115.959 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.7 p -69.88 -21.33 63.34 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.751 -0.593 . . . . 0.0 110.585 178.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.72 -101.13 2.74 Favored Glycine 0 C--N 1.335 0.489 0 N-CA-C 106.303 -2.719 . . . . 0.0 106.303 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -67.99 154.64 41.2 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 121.451 0.643 . . . . 0.0 109.446 179.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 47.9 p -147.08 159.31 43.74 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 125.845 1.658 . . . . 0.0 107.123 178.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.56 -35.77 0.31 Allowed Glycine 0 CA--C 1.525 0.668 0 CA-C-O 119.037 -0.868 . . . . 0.0 111.786 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -149.62 166.5 29.11 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.594 1.557 . . . . 0.0 108.744 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 9.5 mp -111.76 -12.39 13.85 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 126.308 1.843 . . . . 0.0 110.946 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 1.5 m -48.8 -42.43 35.88 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.58 1.552 . . . . 0.0 112.021 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.84 -32.63 74.21 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.562 1.145 . . . . 0.0 113.255 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -78.12 -30.11 49.25 Favored 'General case' 0 C--O 1.23 0.06 0 CA-C-N 118.652 0.66 . . . . 0.0 110.977 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.16 -41.65 93.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 N-CA-C 106.158 -1.793 . . . . 0.0 106.158 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -65.1 -38.04 89.45 Favored 'General case' 0 C--O 1.233 0.214 0 O-C-N 121.865 -0.522 . . . . 0.0 110.195 178.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 84.2 mtt-85 -65.64 -33.49 76.02 Favored 'General case' 0 C--N 1.343 0.315 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.458 HD21 ' HG2' ' B' ' 41' ' ' LYS . 35.6 mt -70.09 -32.7 70.89 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 118.42 -0.8 . . . . 0.0 110.963 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 39.4 mtt -63.14 -36.41 83.53 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 119.254 0.934 . . . . 0.0 108.558 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.34 -35.62 72.19 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.478 1.511 . . . . 0.0 109.932 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -68.39 -31.43 70.78 Favored 'General case' 0 N--CA 1.457 -0.125 0 O-C-N 121.406 -0.809 . . . . 0.0 110.771 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.07 -13.93 6.65 Favored Glycine 0 CA--C 1.523 0.551 0 C-N-CA 125.162 1.363 . . . . 0.0 112.995 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -64.09 136.78 57.57 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.541 1.171 . . . . 0.0 108.627 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 10.2 t -79.63 153.3 29.48 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -52.63 -41.56 63.84 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 123.985 0.914 . . . . 0.0 111.636 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -58.35 -54.84 42.41 Favored 'General case' 0 C--N 1.342 0.252 0 CA-C-N 118.702 0.683 . . . . 0.0 109.562 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -59.65 -41.42 90.49 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.934 0.893 . . . . 0.0 110.533 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 60.4 mt -58.71 -47.5 88.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 CA-C-N 119.582 1.083 . . . . 0.0 108.559 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -62.79 -49.48 74.79 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 118.014 -0.993 . . . . 0.0 108.982 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -54.24 -40.18 67.48 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 120.633 1.561 . . . . 0.0 111.131 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.16 -47.8 81.12 Favored 'General case' 0 N--CA 1.463 0.225 0 O-C-N 121.52 -0.738 . . . . 0.0 109.024 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 20.8 mt -59.09 -45.67 90.26 Favored 'General case' 0 CA--C 1.522 -0.116 0 C-N-CA 123.91 0.884 . . . . 0.0 110.155 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 78.6 t -55.04 -57.69 6.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 C-N-CA 125.245 1.418 . . . . 0.0 109.154 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 39.8 mt -63.65 -23.55 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 C-N-CA 123.315 0.646 . . . . 0.0 111.877 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.13 9.18 29.29 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 119.924 1.238 . . . . 0.0 111.2 179.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 10.5 m170 56.96 51.7 10.27 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.955 1.302 . . . . 0.0 107.907 -178.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 6.9 m120 69.95 -7.2 0.96 Allowed 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 129.469 3.107 . . . . 0.0 113.295 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -65.64 100.8 0.55 Allowed 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 119.985 1.266 . . . . 0.0 113.004 -177.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 4.7 tp -61.65 -40.77 87.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 124.801 1.24 . . . . 0.0 111.632 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -59.36 -49.77 76.52 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 119.53 1.059 . . . . 0.0 109.601 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 16.2 ttt -64.39 -53.09 53.93 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 126.376 1.87 . . . . 0.0 109.123 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.79 -39.87 68.87 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.473 1.109 . . . . 0.0 111.341 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.458 ' HG2' HD21 ' B' ' 16' ' ' LEU . 21.5 mttm -62.34 -40.8 97.59 Favored 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 178.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -61.19 -40.45 93.97 Favored 'General case' 0 C--N 1.339 0.129 0 CA-C-O 118.384 -0.817 . . . . 0.0 109.077 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.518 ' HA ' HD13 ' A' ' 32' ' ' ILE . 8.3 mt -60.55 -57.16 13.22 Favored 'Isoleucine or valine' 0 C--N 1.343 0.32 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 73.7 mt -52.33 -48.74 65.29 Favored 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 124.201 1.0 . . . . 0.0 109.965 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -61.45 -25.47 67.25 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 124.875 1.27 . . . . 0.0 114.174 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.471 ' HG3' HD11 ' A' ' 32' ' ' ILE . 14.6 mm-40 -99.3 -37.9 9.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 119.748 1.158 . . . . 0.0 113.26 -178.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -94.31 -60.39 1.74 Allowed 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 124.739 1.216 . . . . 0.0 111.751 -178.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.39 -8.63 56.69 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.852 0.861 . . . . 0.0 111.071 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.96 173.5 29.27 Favored Glycine 0 CA--C 1.53 0.993 0 C-N-CA 127.173 2.321 . . . . 0.0 109.021 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -71.59 99.64 0.96 Allowed 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 122.755 2.303 . . . . 0.0 112.938 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 9.8 t -80.74 34.7 0.34 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.275 1.43 . . . . 0.0 109.994 178.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 28.0 m -166.6 -171.16 1.8 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 127.715 2.406 . . . . 0.0 108.85 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.81 0 N-CA-C 108.328 -1.909 . . . . 0.0 108.328 179.583 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.054 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.23 118.42 3.5 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 118.193 0.996 . . . . 0.0 112.013 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.0 p -81.24 -168.55 1.88 Allowed 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.451 1.1 . . . . 0.0 109.048 178.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.56 -154.11 20.89 Favored Glycine 0 C--N 1.336 0.537 0 O-C-N 120.582 -1.324 . . . . 0.0 110.797 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.1 p -147.07 172.94 12.97 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 123.518 0.727 . . . . 0.0 110.547 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.0 m -121.34 175.47 6.13 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 123.749 0.82 . . . . 0.0 111.736 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.42 -11.94 30.78 Favored Glycine 0 CA--C 1.53 1.021 0 C-N-CA 127.855 2.645 . . . . 0.0 113.397 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -148.75 145.93 27.83 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 119.338 1.569 . . . . 0.0 109.296 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.5 mp -98.84 -26.76 14.2 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 178.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.2 m -48.41 -49.11 36.32 Favored 'General case' 0 C--N 1.341 0.228 0 C-N-CA 124.797 1.239 . . . . 0.0 110.509 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.8 m -56.28 -37.48 69.9 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.605 1.162 . . . . 0.0 112.528 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -77.23 -28.99 53.9 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 118.966 0.803 . . . . 0.0 110.056 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 98.7 mt -64.2 -45.77 95.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 N-CA-C 104.467 -2.42 . . . . 0.0 104.467 177.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -58.6 -36.56 74.2 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.173 0.989 . . . . 0.0 109.58 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.9 mmt-85 -69.92 -38.18 76.16 Favored 'General case' 0 CA--C 1.518 -0.271 0 O-C-N 121.545 -0.722 . . . . 0.0 110.217 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.1 mt -67.34 -28.75 68.24 Favored 'General case' 0 N--CA 1.454 -0.255 0 O-C-N 121.672 -0.643 . . . . 0.0 109.584 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 17.0 mtt -61.52 -45.37 94.5 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 178.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.3 m -62.02 -29.29 70.17 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.929 0.892 . . . . 0.0 112.221 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -72.79 -14.9 61.63 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.615 1.098 . . . . 0.0 112.23 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.91 25.93 5.99 Favored Glycine 0 CA--C 1.527 0.788 0 CA-C-O 118.635 -1.092 . . . . 0.0 114.523 179.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -110.47 154.93 22.94 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 118.464 1.132 . . . . 0.0 111.463 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.7 m -82.62 158.63 22.95 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.895 1.278 . . . . 0.0 109.046 178.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -67.11 -36.66 82.42 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.826 0.85 . . . . 0.0 109.722 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -57.77 -55.51 34.0 Favored 'General case' 0 C--O 1.224 -0.238 0 C-N-CA 124.177 0.991 . . . . 0.0 108.884 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -53.53 -49.06 68.4 Favored 'General case' 0 N--CA 1.461 0.101 0 C-N-CA 124.53 1.132 . . . . 0.0 109.608 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.9 mt -56.24 -49.17 77.78 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 O-C-N 121.779 -0.575 . . . . 0.0 110.005 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 71.2 mm-40 -63.35 -42.8 98.94 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.892 0.877 . . . . 0.0 111.823 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -63.8 -44.33 93.62 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.966 0.803 . . . . 0.0 109.199 179.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.73 -39.13 93.54 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.2 mt -64.22 -50.63 67.26 Favored 'General case' 0 C--N 1.34 0.182 0 CA-C-O 118.473 -0.775 . . . . 0.0 112.075 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.9 p -61.33 -45.81 97.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 119.034 0.833 . . . . 0.0 110.924 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 72.0 mt -67.43 -31.82 54.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.71 10.19 4.31 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 120.93 -1.106 . . . . 0.0 110.288 178.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 34.4 m170 53.66 46.35 26.14 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.202 1.801 . . . . 0.0 109.178 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 72.33 6.43 5.5 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 128.726 2.81 . . . . 0.0 113.968 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -80.14 106.33 12.08 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 120.243 1.383 . . . . 0.0 109.858 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.5 tp -63.21 -41.34 92.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 123.803 0.841 . . . . 0.0 112.362 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -64.22 -46.58 83.25 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 119.637 1.108 . . . . 0.0 110.224 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 14.8 ttt -61.64 -46.86 87.99 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 178.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.59 -39.21 87.25 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 123.304 0.642 . . . . 0.0 111.099 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -58.63 -36.89 74.8 Favored 'General case' 0 C--O 1.234 0.289 0 O-C-N 121.341 -0.85 . . . . 0.0 109.855 178.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -67.76 -41.89 82.61 Favored 'General case' 0 C--N 1.341 0.222 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 64.7 mt -55.15 -54.71 21.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.3 mt -56.12 -44.74 79.43 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.443 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 -61.11 -35.2 76.37 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -103.9 -7.06 20.73 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 114.954 1.465 . . . . 0.0 114.954 -177.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -119.07 -36.64 3.36 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 119.175 0.898 . . . . 0.0 111.686 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.29 -8.58 21.98 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.21 1.404 . . . . 0.0 110.417 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -118.01 -169.1 14.62 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 127.459 2.457 . . . . 0.0 109.172 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -71.02 152.86 63.15 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.941 1.761 . . . . 0.0 111.001 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.2 m -116.37 153.93 31.15 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 178.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.2 t -115.88 118.53 33.24 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 118.855 0.752 . . . . 0.0 110.786 -178.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.207 0 CA-C-O 116.388 -2.34 . . . . 0.0 109.975 179.808 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.741 0 CA-C-O 119.014 -0.881 . . . . 0.0 111.309 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 32.3 t -72.57 89.38 1.29 Allowed 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.695 1.598 . . . . 0.0 108.423 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 78.1 p -71.25 131.14 43.05 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.76 -169.4 41.82 Favored Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 109.65 -1.38 . . . . 0.0 109.65 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 20.6 p -128.74 167.42 17.29 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 125.439 1.496 . . . . 0.0 108.325 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 24.5 p -146.22 176.4 9.78 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 123.869 0.867 . . . . 0.0 108.946 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.89 -36.22 4.42 Favored Glycine 0 C--N 1.334 0.437 0 CA-C-O 118.535 -1.147 . . . . 0.0 112.837 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -136.87 95.36 3.11 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 119.639 1.72 . . . . 0.0 108.365 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 11.2 mp -51.91 -26.13 9.6 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 126.332 1.853 . . . . 0.0 112.574 -179.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 7.2 p -52.2 -42.97 63.96 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.708 1.603 . . . . 0.0 109.284 177.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 8.9 m -59.63 -34.79 73.24 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 125.378 1.471 . . . . 0.0 110.714 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -78.33 -16.24 57.91 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 121.21 -0.931 . . . . 0.0 111.257 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 76.5 mt -69.08 -42.48 81.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 N-CA-C 104.149 -2.538 . . . . 0.0 104.149 177.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -58.81 -43.9 90.69 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 125.023 1.329 . . . . 0.0 109.622 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -63.49 -15.59 58.26 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 118.847 -0.597 . . . . 0.0 112.451 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 39.8 mt -98.45 -29.85 12.88 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 119.265 0.939 . . . . 0.0 108.686 178.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 49.7 mtt -58.52 -43.01 89.03 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 118.953 0.797 . . . . 0.0 109.366 178.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.71 6.32 0.5 Allowed 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.813 1.645 . . . . 0.0 114.651 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.463 ' HB2' ' CD2' ' B' ' 21' ' ' TYR . 4.6 mm-40 -106.17 -15.3 14.9 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 120.19 -1.569 . . . . 0.0 110.557 178.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.52 3.29 53.26 Favored Glycine 0 CA--C 1.532 1.154 0 N-CA-C 110.009 -1.236 . . . . 0.0 110.009 -178.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' TYR . . . . . 0.463 ' CD2' ' HB2' ' B' ' 19' ' ' GLN . 45.1 m-85 -83.95 127.72 34.05 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 104.111 -2.551 . . . . 0.0 104.111 178.282 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 50.7 m -77.63 156.74 30.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 119.289 0.95 . . . . 0.0 111.567 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -51.05 -41.11 59.67 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 126.154 1.782 . . . . 0.0 111.589 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -55.86 -53.98 50.13 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 123.944 0.778 . . . . 0.0 110.187 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ASP . . . . . 0.432 ' HA ' ' HE3' ' B' ' 28' ' ' LYS . 39.0 m-20 -58.73 -47.77 83.46 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.629 0.772 . . . . 0.0 109.532 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 40.1 mt -55.02 -48.16 76.14 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -61.88 -46.71 88.21 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.899 1.28 . . . . 0.0 109.947 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.432 ' HE3' ' HA ' ' B' ' 25' ' ' ASP . 7.7 mtmp? -56.6 -42.78 79.31 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 121.085 -1.009 . . . . 0.0 109.542 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.91 -44.38 77.07 Favored 'General case' 0 N--CA 1.452 -0.355 0 O-C-N 121.329 -0.857 . . . . 0.0 110.591 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 41.7 mt -58.19 -50.27 74.11 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 119.368 0.985 . . . . 0.0 112.004 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 9.3 p -61.18 -28.95 44.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 CA-C-N 118.403 0.547 . . . . 0.0 112.348 -179.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 86.4 mt -89.63 -23.65 6.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 O-C-N 121.264 -0.897 . . . . 0.0 110.013 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.22 10.13 28.4 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 120.514 -1.366 . . . . 0.0 111.254 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 12.6 m170 53.74 46.93 24.85 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 122.846 1.308 . . . . 0.0 108.841 -178.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 64.89 5.27 2.79 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 127.119 2.168 . . . . 0.0 112.687 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -70.94 99.88 1.86 Allowed 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 6.7 tp -58.01 -39.0 70.22 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 C-N-CA 125.169 1.388 . . . . 0.0 112.549 -179.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -69.38 -46.36 67.12 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.528 -0.732 . . . . 0.0 110.454 -179.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 16.4 ttt -61.05 -46.55 90.25 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.38 -45.68 92.68 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 123.654 0.782 . . . . 0.0 109.945 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 19.9 mttm -53.63 -39.44 64.98 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 119.207 0.912 . . . . 0.0 109.009 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -69.1 -44.1 73.17 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 118.617 -0.706 . . . . 0.0 110.418 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 71.7 mt -56.29 -51.55 62.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 CA-C-O 122.846 1.308 . . . . 0.0 107.732 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 24.3 mt -59.03 -21.93 59.87 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 125.052 1.341 . . . . 0.0 112.406 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -93.54 -12.45 29.56 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-O 117.047 -1.454 . . . . 0.0 112.915 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -119.58 -6.71 10.19 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 120.693 1.588 . . . . 0.0 113.658 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -118.41 -64.08 1.33 Allowed 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 104.716 -2.328 . . . . 0.0 104.716 178.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.32 0.72 27.79 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 123.405 0.682 . . . . 0.0 109.28 177.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -134.32 -177.84 15.22 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 127.239 2.352 . . . . 0.0 111.303 -179.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -71.1 158.45 55.03 Favored 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 124.024 3.149 . . . . 0.0 116.027 -177.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 45.8 m -141.82 -173.7 3.87 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 128.205 2.602 . . . . 0.0 108.152 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 8.1 t -121.97 165.91 15.26 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 124.159 0.984 . . . . 0.0 109.514 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 C-N-CA 126.118 1.818 . . . . 0.0 112.557 179.506 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.866 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.4 m -108.02 58.95 0.61 Allowed 'General case' 0 C--O 1.233 0.236 0 C-N-CA 124.82 1.248 . . . . 0.0 110.764 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.0 p -89.43 -176.09 4.94 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.658 1.183 . . . . 0.0 109.447 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.3 7.13 35.47 Favored Glycine 0 CA--C 1.525 0.656 0 CA-C-O 118.62 -1.1 . . . . 0.0 115.352 178.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.5 m -135.37 -178.47 5.12 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 119.212 1.506 . . . . 0.0 111.651 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 t -149.05 177.41 9.62 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 127.362 2.265 . . . . 0.0 107.344 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.06 -116.97 1.01 Allowed Glycine 0 N--CA 1.45 -0.379 0 N-CA-C 108.183 -1.967 . . . . 0.0 108.183 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -123.38 164.99 17.78 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.571 0.701 . . . . 0.0 112.048 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -121.61 15.14 11.09 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.73 2.012 . . . . 0.0 113.17 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.0 m -48.68 -56.63 7.99 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 125.024 1.33 . . . . 0.0 112.902 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -60.0 -20.95 60.48 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.653 1.181 . . . . 0.0 113.878 -179.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -86.38 -22.97 26.33 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 119.307 0.958 . . . . 0.0 109.554 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.8 mt -61.47 -47.59 92.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 N-CA-C 106.127 -1.805 . . . . 0.0 106.127 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -57.57 -37.41 73.12 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 126.514 1.925 . . . . 0.0 111.151 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -70.32 -37.6 74.77 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.2 mt -69.55 -29.37 66.93 Favored 'General case' 0 C--N 1.337 0.031 0 C-N-CA 124.401 1.081 . . . . 0.0 111.959 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 39.5 mtt -59.62 -29.71 68.2 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 120.012 1.278 . . . . 0.0 111.242 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.0 m -64.7 -23.79 67.36 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 118.517 0.599 . . . . 0.0 111.403 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -85.51 -1.37 57.01 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.382 1.073 . . . . 0.0 111.453 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.45 -15.39 60.09 Favored Glycine 0 CA--C 1.525 0.665 0 C-N-CA 125.507 1.527 . . . . 0.0 114.643 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -58.64 123.46 16.4 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 118.693 1.246 . . . . 0.0 111.226 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.8 m -64.92 143.8 57.71 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.033 0.933 . . . . 0.0 108.818 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -52.01 -45.13 64.44 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 123.634 0.774 . . . . 0.0 111.3 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -59.18 -47.01 86.88 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 117.524 0.147 . . . . 0.0 111.308 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -59.71 -42.59 93.41 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 121.154 -0.966 . . . . 0.0 109.743 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.3 mt -60.4 -41.55 87.79 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -63.05 -50.82 69.11 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.104 0.962 . . . . 0.0 110.098 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.8 mttp -57.53 -45.66 84.78 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.129 0.972 . . . . 0.0 109.753 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.17 -43.42 95.83 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 118.619 -0.705 . . . . 0.0 110.613 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 28.6 mt -62.69 -51.67 66.29 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 119.19 0.905 . . . . 0.0 112.902 -179.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.2 p -57.45 -47.58 84.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 118.121 0.419 . . . . 0.0 110.785 -178.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 72.6 mt -65.77 -38.56 82.52 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.04 7.18 3.45 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 60.02 48.98 8.03 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 119.92 1.237 . . . . 0.0 108.375 -178.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 48.2 55.97 8.04 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 127.057 2.143 . . . . 0.0 109.73 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -125.07 105.3 9.07 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 123.986 0.914 . . . . 0.0 109.129 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.55 HG13 ' HE3' ' A' ' 41' ' ' LYS . 5.7 tp -61.29 -42.05 92.07 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.329 0 C-N-CA 122.84 0.456 . . . . 0.0 110.923 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -65.12 -18.76 65.57 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 125.355 1.462 . . . . 0.0 113.976 -177.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 14.9 ttt -98.53 -47.67 5.29 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 106.498 -1.667 . . . . 0.0 106.498 179.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.01 -38.77 80.01 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.68 0.792 . . . . 0.0 111.08 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.55 ' HE3' HG13 ' A' ' 37' ' ' ILE . 83.1 mttt -57.77 -41.07 81.27 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 123.99 0.916 . . . . 0.0 109.041 178.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -64.49 -45.83 85.63 Favored 'General case' 0 C--O 1.227 -0.111 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.557 ' HA ' HD13 ' B' ' 32' ' ' ILE . 25.9 mt -56.96 -48.55 81.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.3 mt -61.3 -30.93 70.79 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 123.021 0.528 . . . . 0.0 111.42 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -71.84 -37.18 70.32 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 123.349 0.66 . . . . 0.0 111.549 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.494 ' HG3' HD11 ' B' ' 32' ' ' ILE . 47.7 mm-40 -90.15 -55.7 3.51 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 -178.176 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -83.25 -10.71 58.4 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -178.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.0 m -132.36 -170.43 2.42 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 176.51 -164.13 33.68 Favored Glycine 0 CA--C 1.525 0.694 0 O-C-N 121.14 -0.975 . . . . 0.0 110.778 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -71.77 176.71 7.86 Favored 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 122.884 2.389 . . . . 0.0 111.425 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.0 166.56 14.29 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 124.352 1.061 . . . . 0.0 108.855 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.17 -26.2 0.1 Allowed 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 123.743 0.817 . . . . 0.0 111.831 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.67 0 N-CA-C 108.283 -1.927 . . . . 0.0 108.283 178.565 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.465 0 N-CA-C 108.902 -1.679 . . . . 0.0 108.902 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 58.0 m -64.68 128.13 34.45 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 50.5 p -162.8 -159.48 0.56 Allowed 'General case' 0 C--O 1.237 0.447 0 C-N-CA 126.331 1.852 . . . . 0.0 107.625 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.06 -60.26 1.98 Allowed Glycine 0 C--N 1.336 0.553 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 5.1 m -64.49 179.36 0.61 Allowed 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.737 1.215 . . . . 0.0 111.241 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 40.0 t -151.05 163.63 38.33 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 126.666 1.986 . . . . 0.0 107.208 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.01 -129.63 1.91 Allowed Glycine 0 C--N 1.335 0.485 0 O-C-N 121.583 -0.698 . . . . 0.0 111.665 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -103.18 133.43 48.29 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 125.252 1.421 . . . . 0.0 108.338 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -107.73 22.33 16.12 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.061 1.744 . . . . 0.0 110.379 -179.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 3.4 p -62.54 -45.83 91.16 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 126.827 2.051 . . . . 0.0 112.277 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 49.4 m -66.31 -24.74 66.59 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.869 0.759 . . . . 0.0 109.292 178.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -76.58 -17.04 59.42 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 118.518 -0.753 . . . . 0.0 109.582 178.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 74.4 mt -65.52 -46.57 89.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 N-CA-C 104.971 -2.233 . . . . 0.0 104.971 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -56.66 -40.01 74.75 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.155 0.582 . . . . 0.0 111.282 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -58.03 -30.52 66.19 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.796 -0.565 . . . . 0.0 110.649 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.411 HD21 ' HE2' ' B' ' 41' ' ' LYS . 67.5 mt -87.96 -26.54 22.62 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 124.722 1.209 . . . . 0.0 110.863 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 34.8 mtt -62.76 -31.75 72.76 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 50.2 m -64.01 -13.48 46.99 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.744 1.218 . . . . 0.0 111.308 177.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -98.05 -15.26 20.1 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.151 1.38 . . . . 0.0 109.946 178.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.29 -2.45 61.14 Favored Glycine 0 CA--C 1.532 1.129 0 C-N-CA 126.611 2.053 . . . . 0.0 114.343 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -57.49 139.13 54.14 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 120.206 2.003 . . . . 0.0 109.451 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.4 m -66.68 145.55 55.44 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 122.501 0.32 . . . . 0.0 110.773 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -55.08 -46.96 75.49 Favored 'General case' 0 C--N 1.333 -0.109 0 C-N-CA 123.901 0.88 . . . . 0.0 109.078 179.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -58.03 -45.13 87.44 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 123.613 0.765 . . . . 0.0 110.006 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -62.14 -45.43 93.47 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 123.851 0.86 . . . . 0.0 109.562 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 47.0 mt -61.44 -44.98 99.49 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -61.13 -45.3 95.24 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.815 1.246 . . . . 0.0 110.013 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 41.7 mttt -59.55 -47.35 85.9 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 120.919 -1.113 . . . . 0.0 108.27 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.76 -43.65 94.2 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 119.01 -0.519 . . . . 0.0 109.931 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 30.9 mt -62.77 -53.51 53.24 Favored 'General case' 0 C--N 1.34 0.179 0 CA-C-O 118.393 -0.813 . . . . 0.0 111.658 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 5.4 p -59.72 -42.83 89.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-N 119.418 1.008 . . . . 0.0 111.555 -178.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.557 HD13 ' HA ' ' A' ' 43' ' ' ILE . 63.9 mt -68.72 -32.44 54.97 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 O-C-N 121.617 -0.677 . . . . 0.0 109.633 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.6 10.39 13.38 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 123.978 0.911 . . . . 0.0 112.354 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 56.07 40.54 30.24 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 124.824 1.25 . . . . 0.0 110.32 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 74.18 6.19 4.7 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 128.043 2.537 . . . . 0.0 112.913 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -75.2 99.32 3.97 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 119.696 1.135 . . . . 0.0 108.809 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 6.1 tp -55.71 -40.21 59.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 124.881 1.272 . . . . 0.0 112.399 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -64.46 -48.61 74.6 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 125.159 1.383 . . . . 0.0 110.129 -177.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 6.7 ttt -65.46 -46.21 80.7 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 178.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.97 -42.91 86.04 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.36 1.064 . . . . 0.0 110.771 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.411 ' HE2' HD21 ' B' ' 16' ' ' LEU . 18.8 mttt -59.05 -43.77 91.72 Favored 'General case' 0 CA--C 1.517 -0.316 0 O-C-N 121.642 -0.662 . . . . 0.0 109.231 178.498 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -60.65 -37.65 82.25 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 118.59 -0.719 . . . . 0.0 109.559 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 67.3 mt -60.58 -54.87 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 178.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 68.6 mt -62.38 -6.27 3.14 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.993 1.317 . . . . 0.0 112.521 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -96.66 -21.11 17.81 Favored 'General case' 0 C--N 1.338 0.072 0 O-C-N 120.703 -1.248 . . . . 0.0 112.181 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -124.43 -6.98 7.54 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -178.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -115.1 -74.39 0.61 Allowed 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 178.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 18.8 m -66.42 170.37 6.17 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -156.66 -178.16 30.5 Favored Glycine 0 CA--C 1.524 0.596 0 O-C-N 120.494 -1.379 . . . . 0.0 112.82 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -74.3 149.76 40.75 Favored 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 122.866 2.377 . . . . 0.0 110.19 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 26.2 p -82.44 178.14 8.38 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 178.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 88.7 p -142.2 -68.89 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 105.175 -2.157 . . . . 0.0 105.175 178.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.668 0 N-CA-C 106.569 -2.612 . . . . 0.0 106.569 177.514 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.649 0 N-CA-C 111.5 -0.64 . . . . 0.0 111.5 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 m -79.37 -175.57 4.77 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 123.419 0.687 . . . . 0.0 111.029 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 t -122.77 157.6 32.02 Favored 'General case' 0 C--O 1.24 0.6 0 N-CA-C 106.661 -1.607 . . . . 0.0 106.661 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.12 175.67 42.75 Favored Glycine 0 CA--C 1.532 1.106 0 N-CA-C 107.607 -2.197 . . . . 0.0 107.607 -177.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m 61.71 20.03 11.02 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.546 -0.973 . . . . 0.0 112.232 -179.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.3 m -80.28 154.32 27.92 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.07 -166.34 25.99 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 106.755 -2.538 . . . . 0.0 106.755 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -64.44 159.94 20.29 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 177.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.0 tt -55.18 -29.83 58.64 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.56 1.144 . . . . 0.0 110.675 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.9 p -54.69 -40.43 69.15 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.811 0.844 . . . . 0.0 110.822 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.8 m -74.78 -5.98 46.41 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.542 1.537 . . . . 0.0 112.671 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -98.1 -31.78 11.95 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 178.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.4 mt -61.63 -48.1 90.3 Favored 'Isoleucine or valine' 0 C--N 1.342 0.276 0 N-CA-C 105.589 -2.004 . . . . 0.0 105.589 177.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -60.18 -30.95 69.68 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.339 0.656 . . . . 0.0 110.893 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -77.12 -33.36 56.83 Favored 'General case' 0 CA--C 1.52 -0.203 0 O-C-N 121.26 -0.9 . . . . 0.0 109.717 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.7 mt -69.62 -31.92 70.33 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 178.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 48.1 mtt -60.56 -32.95 72.0 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 119.145 0.884 . . . . 0.0 110.052 178.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.1 m -59.35 -26.52 65.13 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.925 1.29 . . . . 0.0 111.659 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -78.26 -9.54 59.27 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.254 0.621 . . . . 0.0 111.238 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.09 2.61 48.53 Favored Glycine 0 C--N 1.335 0.512 0 C-N-CA 125.278 1.418 . . . . 0.0 113.517 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -76.55 132.14 39.35 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 118.506 1.153 . . . . 0.0 109.26 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.8 m -75.96 158.17 32.27 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -51.31 -39.7 57.46 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 118.835 -0.603 . . . . 0.0 111.644 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -57.92 -48.3 80.3 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.409 0.684 . . . . 0.0 111.108 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -61.42 -48.42 81.26 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 125.46 1.504 . . . . 0.0 110.045 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.4 mt -61.26 -47.13 94.92 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 O-C-N 121.407 -0.808 . . . . 0.0 109.275 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -58.52 -49.93 75.6 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.564 1.546 . . . . 0.0 109.656 178.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -52.64 -47.51 67.03 Favored 'General case' 0 C--N 1.344 0.359 0 CA-C-N 120.018 1.281 . . . . 0.0 110.628 178.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.42 -38.65 81.17 Favored 'General case' 0 C--O 1.226 -0.142 0 CA-C-O 118.716 -0.659 . . . . 0.0 110.802 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 62.2 mt -66.75 -57.14 7.69 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 118.92 0.782 . . . . 0.0 110.15 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.1 p -57.63 -41.5 79.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 118.877 0.762 . . . . 0.0 111.299 -178.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 95.2 mt -68.23 -25.58 31.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 O-C-N 121.618 -0.677 . . . . 0.0 110.188 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.44 12.97 20.99 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.065 1.346 . . . . 0.0 110.611 178.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 15.0 m170 59.62 27.49 16.72 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.081 1.753 . . . . 0.0 111.024 -178.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 88.32 0.58 0.39 Allowed 'General case' 0 N--CA 1.464 0.255 1 C-N-CA 132.24 4.216 . . . . 0.0 113.202 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -65.32 110.32 2.58 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.76 1.164 . . . . 0.0 110.663 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.1 tp -65.88 -38.47 82.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -68.15 -38.85 82.58 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.331 -0.856 . . . . 0.0 110.813 -178.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 22.1 ttt -69.99 -49.82 47.75 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.34 -39.02 75.04 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.12 0.968 . . . . 0.0 111.207 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -58.17 -45.53 87.34 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 178.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -62.75 -34.54 77.42 Favored 'General case' 0 CA--C 1.527 0.06 0 CA-C-O 118.523 -0.751 . . . . 0.0 111.155 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 57.0 mt -58.54 -53.37 47.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 105.499 -2.037 . . . . 0.0 105.499 178.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 64.7 mt -73.53 27.88 0.07 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 127.05 2.14 . . . . 0.0 111.296 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -135.03 -20.49 1.69 Allowed 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 125.292 1.437 . . . . 0.0 112.575 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -122.43 -6.24 8.74 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.08 0.952 . . . . 0.0 111.373 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -119.88 -90.89 0.57 Allowed 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.19 120.67 13.64 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 143.04 -176.5 22.54 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -77.88 45.42 1.78 Allowed 'Trans proline' 0 CA--C 1.545 1.04 0 C-N-CA 124.028 3.152 . . . . 0.0 110.514 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.4 m -63.01 170.39 2.78 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.989 2.116 . . . . 0.0 112.032 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 89.9 p -157.97 174.41 15.29 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 124.131 0.973 . . . . 0.0 110.185 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.634 0 CA-C-O 118.72 -1.045 . . . . 0.0 110.822 178.981 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.755 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.4 m -72.69 -171.63 0.86 Allowed 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 118.25 1.025 . . . . 0.0 108.842 178.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 7.4 t -130.84 126.7 36.94 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.27 -178.88 23.65 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 125.565 1.555 . . . . 0.0 110.024 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 9.4 m 57.04 9.19 0.6 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.304 1.442 . . . . 0.0 114.043 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 20.4 m -66.14 150.25 49.03 Favored 'General case' 0 C--O 1.241 0.623 0 O-C-N 121.091 -1.005 . . . . 0.0 109.034 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.37 -165.29 10.48 Favored Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 109.89 -1.284 . . . . 0.0 109.89 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -71.2 157.92 37.31 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 104.515 -2.402 . . . . 0.0 104.515 177.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 7.9 tt -50.99 -32.14 20.2 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 119.48 1.036 . . . . 0.0 111.767 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.42 -43.27 93.08 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 125.642 1.577 . . . . 0.0 110.733 178.287 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 75.0 m -70.18 -40.85 74.43 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.173 0.989 . . . . 0.0 109.336 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -59.19 -38.13 79.1 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.368 1.067 . . . . 0.0 110.503 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 54.8 mt -59.25 -40.42 81.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 178.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -72.53 -32.25 65.95 Favored 'General case' 0 N--CA 1.457 -0.106 0 O-C-N 121.485 -0.76 . . . . 0.0 110.581 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 37.8 mtp85 -63.82 -24.02 67.59 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 119.03 0.832 . . . . 0.0 109.552 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 16.5 mt -82.93 -33.09 26.87 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 124.772 1.229 . . . . 0.0 110.3 178.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 52.8 mtt -51.41 -42.43 61.45 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.938 1.245 . . . . 0.0 110.844 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 24.4 m -56.49 -12.54 1.78 Allowed 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 -86.34 1.07 52.44 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 120.24 1.382 . . . . 0.0 110.403 178.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.82 3.91 58.04 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 126.387 1.946 . . . . 0.0 110.85 -178.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 17.5 m-30 -72.87 147.74 45.09 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 126.766 2.026 . . . . 0.0 112.331 -179.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 16.5 m -99.06 152.79 19.45 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -53.58 -38.97 64.43 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 114.441 1.274 . . . . 0.0 114.441 -178.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -65.1 -41.83 94.57 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 119.288 0.949 . . . . 0.0 111.272 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -55.96 -48.3 76.03 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 48.2 mt -62.39 -47.69 91.86 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -58.79 -43.76 90.54 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 118.405 -0.807 . . . . 0.0 111.586 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -58.99 -49.2 78.78 Favored 'General case' 0 CA--C 1.526 0.054 0 CA-C-N 119.395 0.998 . . . . 0.0 108.876 178.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.83 -41.08 90.56 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 118.791 0.723 . . . . 0.0 110.041 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 20.4 mt -63.22 -55.09 27.87 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 118.401 -0.809 . . . . 0.0 111.164 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 10.0 p -59.93 -43.69 92.83 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-N 119.15 0.886 . . . . 0.0 111.337 -179.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 77.7 mt -65.36 -31.0 51.95 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.47 11.41 7.02 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.347 1.059 . . . . 0.0 111.323 178.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 19.3 m170 63.9 26.57 14.27 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.485 1.514 . . . . 0.0 110.72 -178.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 83.15 5.62 0.84 Allowed 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 131.435 3.894 . . . . 0.0 112.465 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -72.73 107.71 5.33 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.558 -0.714 . . . . 0.0 109.461 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 8.0 tp -61.05 -38.89 80.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 123.987 0.915 . . . . 0.0 113.069 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -68.03 -45.58 73.58 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 119.849 1.204 . . . . 0.0 109.956 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 17.7 ttt -62.84 -44.83 95.1 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.88 -45.81 92.16 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.533 0.733 . . . . 0.0 109.138 178.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -53.96 -38.21 64.75 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 118.082 -0.961 . . . . 0.0 109.731 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 -63.74 -44.66 92.84 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 119.091 0.86 . . . . 0.0 109.415 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 46.0 mt -57.09 -49.71 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 179.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 64.2 mt -73.7 27.32 0.07 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.697 1.999 . . . . 0.0 112.735 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -141.12 -36.61 0.45 Allowed 'General case' 0 C--O 1.235 0.309 0 C-N-CA 126.294 1.837 . . . . 0.0 110.282 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -100.47 -15.26 17.96 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 118.82 0.736 . . . . 0.0 111.978 -179.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -116.83 -75.22 0.58 Allowed 'General case' 0 C--N 1.341 0.22 0 C-N-CA 125.531 1.532 . . . . 0.0 109.629 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 3.5 t -64.15 146.29 54.49 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.76 -174.5 21.75 Favored Glycine 0 CA--C 1.53 1.02 0 C-N-CA 124.883 1.23 . . . . 0.0 111.058 -179.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -74.61 50.54 2.41 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 125.15 3.9 . . . . 0.0 112.634 -179.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 16.5 m -61.13 153.53 25.55 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 126.06 1.744 . . . . 0.0 108.783 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 1.7 p -137.57 158.58 44.08 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.652 -0.869 . . . . 0.0 108.652 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.254 0 N-CA-C 109.243 -1.543 . . . . 0.0 109.243 -179.467 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.488 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 p -161.86 -77.32 0.05 OUTLIER 'General case' 0 C--O 1.234 0.237 0 C-N-CA 124.699 1.199 . . . . 0.0 107.957 178.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.0 t -92.67 83.85 4.93 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 125.067 1.347 . . . . 0.0 108.983 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.9 56.77 0.25 Allowed Glycine 0 C--N 1.339 0.748 0 CA-C-N 119.122 0.873 . . . . 0.0 113.254 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.5 t -68.13 178.86 1.71 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 127.455 2.302 . . . . 0.0 111.712 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.6 p -153.18 -178.26 6.84 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 122.149 0.976 . . . . 0.0 111.914 178.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.69 -29.76 2.02 Favored Glycine 0 CA--C 1.522 0.49 0 C-N-CA 126.016 1.77 . . . . 0.0 114.612 178.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -85.53 62.73 7.66 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 119.211 1.506 . . . . 0.0 107.749 179.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.3 mp -73.41 -32.6 64.52 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 117.882 -1.056 . . . . 0.0 109.533 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.5 m -57.35 -41.34 79.91 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 120.008 1.276 . . . . 0.0 111.005 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.8 m -67.5 -26.18 66.22 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 117.995 0.361 . . . . 0.0 110.48 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -78.94 -30.74 44.82 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 121.221 -0.925 . . . . 0.0 108.97 178.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.416 HG23 HG21 ' A' ' 26' ' ' ILE . 96.6 mt -62.15 -42.48 95.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 104.845 -2.28 . . . . 0.0 104.845 177.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -63.32 -37.47 87.4 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.399 0.679 . . . . 0.0 110.036 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -68.17 -35.17 77.63 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.5 mt -69.98 -44.57 69.15 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 123.86 0.864 . . . . 0.0 108.781 178.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.8 mtt -55.1 -33.65 63.0 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.055 0.843 . . . . 0.0 110.273 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.98 -36.57 68.02 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.927 1.291 . . . . 0.0 111.627 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -76.0 -10.8 59.71 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.725 0.81 . . . . 0.0 112.584 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.78 -11.12 38.3 Favored Glycine 0 CA--C 1.526 0.724 0 C-N-CA 125.355 1.455 . . . . 0.0 111.334 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -51.33 127.08 18.72 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 117.893 0.847 . . . . 0.0 109.521 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.5 m -72.17 145.26 48.19 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 121.245 0.545 . . . . 0.0 110.319 -179.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -56.17 -44.88 79.78 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 125.067 1.347 . . . . 0.0 111.229 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -53.94 -45.76 71.36 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 118.149 0.431 . . . . 0.0 109.888 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -65.62 -47.85 74.26 Favored 'General case' 0 CA--C 1.519 -0.231 0 C-N-CA 123.84 0.856 . . . . 0.0 110.551 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.416 HG21 HG23 ' A' ' 13' ' ' ILE . 59.0 mt -56.19 -46.58 81.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-N 118.58 0.627 . . . . 0.0 109.808 -179.529 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -63.62 -46.07 87.39 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.705 0.802 . . . . 0.0 111.016 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -60.43 -46.79 88.75 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.67 0.668 . . . . 0.0 109.36 179.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.79 -43.53 85.67 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 118.597 -0.716 . . . . 0.0 109.938 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.1 mt -63.1 -51.24 67.35 Favored 'General case' 0 CA--C 1.521 -0.161 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.6 p -61.38 -43.44 96.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-N 118.262 0.483 . . . . 0.0 111.159 -178.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 62.3 mt -71.13 -33.6 51.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 O-C-N 121.767 -0.583 . . . . 0.0 110.175 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.09 9.5 1.95 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.756 0.707 . . . . 0.0 110.892 178.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.1 m170 57.54 50.92 10.32 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.834 1.654 . . . . 0.0 108.454 -178.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.6 m120 53.09 46.4 26.75 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 126.843 2.057 . . . . 0.0 113.027 179.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -121.48 114.6 21.48 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 124.776 1.23 . . . . 0.0 107.94 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.2 tp -65.18 -40.94 90.39 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 124.172 0.989 . . . . 0.0 112.937 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -67.6 -43.21 81.05 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.864 1.211 . . . . 0.0 110.779 -179.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 8.2 ttt -65.71 -42.8 90.71 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.96 -39.5 90.46 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.2 0.6 . . . . 0.0 111.258 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -55.42 -44.27 76.08 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -60.85 -41.62 96.21 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-O 118.671 -0.68 . . . . 0.0 110.737 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 69.2 mt -58.36 -51.58 69.6 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.7 mt -64.17 -22.9 67.12 Favored 'General case' 0 C--O 1.224 -0.276 0 C-N-CA 123.053 0.541 . . . . 0.0 111.97 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -78.6 -19.69 52.15 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 119.472 1.033 . . . . 0.0 111.841 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -114.52 -49.2 2.83 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -178.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -83.76 -13.2 54.49 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 119.211 0.914 . . . . 0.0 113.084 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.9 t -131.59 178.67 6.56 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -175.82 -169.25 37.21 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 108.901 -1.679 . . . . 0.0 108.901 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -66.65 155.45 70.33 Favored 'Trans proline' 0 N--CA 1.449 -1.146 0 C-N-CA 122.588 2.192 . . . . 0.0 109.998 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.9 m -134.66 99.41 4.32 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 -179.211 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.2 m -59.66 -16.84 29.3 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 115.192 1.553 . . . . 0.0 115.192 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 117.83 -1.539 . . . . 0.0 110.687 -179.728 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.588 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 88.5 p -167.34 -6.74 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 9.2 t -147.99 127.04 12.83 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 105.775 -1.935 . . . . 0.0 105.775 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.02 141.27 4.02 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 125.336 1.446 . . . . 0.0 110.56 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 40.6 t -138.82 153.38 48.36 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 124.727 1.211 . . . . 0.0 108.892 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 12.0 p -137.23 101.27 4.49 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.35 -61.85 0.13 Allowed Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.221 -1.152 . . . . 0.0 110.221 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -75.71 51.34 0.61 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.585 1.154 . . . . 0.0 112.074 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 9.8 mp -63.51 -17.48 62.82 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 120.707 -1.245 . . . . 0.0 112.512 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 16.4 m -62.09 -37.29 84.52 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 119.655 1.116 . . . . 0.0 108.499 178.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 22.2 m -66.49 -35.65 80.8 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.245 1.018 . . . . 0.0 109.522 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -67.46 -29.9 69.47 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 120.884 -1.135 . . . . 0.0 111.453 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.9 mt -62.8 -41.43 92.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 107.054 -1.462 . . . . 0.0 107.054 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -65.08 -41.4 95.06 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 124.099 0.96 . . . . 0.0 110.203 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 24.8 mtm180 -63.68 -30.36 71.47 Favored 'General case' 0 C--N 1.342 0.269 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 13.5 mt -77.11 -39.85 47.99 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-O 118.144 -0.932 . . . . 0.0 109.13 178.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 38.5 mtt -54.94 -42.15 71.93 Favored 'General case' 0 C--N 1.339 0.142 0 CA-C-N 119.537 1.062 . . . . 0.0 109.352 178.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 32.4 t -56.9 -16.34 6.61 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.661 1.184 . . . . 0.0 112.497 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -95.31 1.89 54.56 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 120.29 1.405 . . . . 0.0 112.876 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.93 -11.69 64.18 Favored Glycine 0 CA--C 1.522 0.513 0 C-N-CA 125.27 1.414 . . . . 0.0 113.102 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -61.06 125.08 22.41 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.64 152.33 42.53 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 123.759 0.823 . . . . 0.0 109.854 -179.448 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -53.76 -42.35 68.12 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 178.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -62.06 -44.64 96.24 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 118.986 -0.53 . . . . 0.0 111.02 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -56.49 -48.93 76.12 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 124.292 1.037 . . . . 0.0 108.551 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 54.9 mt -60.28 -51.68 70.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 C-N-CA 124.239 1.016 . . . . 0.0 110.48 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -63.99 -40.76 97.1 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.226 0.61 . . . . 0.0 111.644 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -63.62 -41.41 98.28 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 121.345 -0.847 . . . . 0.0 108.932 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.27 -40.37 90.08 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 121.444 -0.785 . . . . 0.0 110.083 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 18.8 mt -62.69 -50.19 72.15 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 118.925 0.784 . . . . 0.0 112.835 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 7.9 p -59.26 -35.66 59.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 118.477 0.58 . . . . 0.0 111.313 -178.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 64.2 mt -79.76 -22.4 12.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 O-C-N 121.648 -0.658 . . . . 0.0 110.762 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.45 16.16 14.17 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 120.685 -1.26 . . . . 0.0 111.523 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 53.5 m170 52.97 44.39 30.49 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 122.334 1.064 . . . . 0.0 109.524 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 4.3 m120 66.67 2.87 2.72 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 127.17 2.188 . . . . 0.0 113.346 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -73.57 110.08 7.58 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 119.967 1.258 . . . . 0.0 109.587 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 5.2 tp -59.18 -47.42 90.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 124.291 1.036 . . . . 0.0 112.524 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -60.34 -48.57 81.19 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 118.913 0.779 . . . . 0.0 110.755 -178.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 18.7 ttt -60.69 -46.7 89.38 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.82 94.49 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.305 0.642 . . . . 0.0 111.605 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -57.36 -40.28 77.75 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.543 0.737 . . . . 0.0 109.971 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -62.47 -40.01 95.26 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 118.766 -0.635 . . . . 0.0 109.818 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 35.5 mt -60.29 -50.88 78.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 179.221 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 70.4 mt -60.82 -20.18 61.16 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.012 0.925 . . . . 0.0 112.545 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -87.25 -17.3 32.87 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.487 1.04 . . . . 0.0 113.099 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -120.26 -17.83 8.16 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -110.2 -57.22 2.23 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 7.1 t -79.34 -176.62 5.31 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -163.06 -179.96 37.92 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 120.783 -1.198 . . . . 0.0 112.348 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -79.11 83.03 2.35 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 124.001 3.134 . . . . 0.0 110.17 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 40.3 m -60.5 116.86 4.64 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.525 1.13 . . . . 0.0 108.524 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 14.9 m -105.71 -3.82 21.68 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 114.803 1.408 . . . . 0.0 114.803 -178.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.874 0 N-CA-C 106.261 -2.735 . . . . 0.0 106.261 179.661 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.968 0 N-CA-C 110.01 -1.236 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 76.99 117.86 0.06 Allowed 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 126.376 1.87 . . . . 0.0 109.497 -179.064 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.9 151.85 29.93 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 124.044 0.938 . . . . 0.0 109.413 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.14 -53.76 3.21 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 107.47 -2.252 . . . . 0.0 107.47 178.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 m -108.55 175.22 5.54 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.945 1.298 . . . . 0.0 109.786 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.2 m -126.0 178.21 5.89 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 125.833 1.653 . . . . 0.0 109.556 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.59 -174.35 39.79 Favored Glycine 0 C--O 1.239 0.456 0 O-C-N 121.767 -0.583 . . . . 0.0 112.177 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -69.69 169.53 12.66 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 125.102 1.361 . . . . 0.0 109.587 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.1 mp -62.04 -22.86 66.08 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 121.707 -0.621 . . . . 0.0 109.511 178.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.401 ' HA ' HD12 ' A' ' 13' ' ' ILE . 1.5 m -56.77 -36.72 70.16 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 125.52 1.528 . . . . 0.0 110.168 178.207 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.9 m -73.41 -22.45 60.23 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 125.681 1.592 . . . . 0.0 111.779 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -81.63 -33.18 31.58 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.106 0.962 . . . . 0.0 108.773 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.427 HG23 HG21 ' A' ' 26' ' ' ILE . 80.9 mt -57.87 -42.09 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 178.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -60.66 -41.35 94.84 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.426 1.09 . . . . 0.0 110.231 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.8 mtm180 -71.72 -29.65 64.78 Favored 'General case' 0 C--N 1.341 0.228 0 O-C-N 121.742 -0.599 . . . . 0.0 110.464 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 26.2 mt -68.05 -34.03 75.68 Favored 'General case' 0 C--N 1.333 -0.142 0 O-C-N 121.407 -0.808 . . . . 0.0 110.255 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 50.8 mtt -60.78 -31.41 70.77 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.733 0.697 . . . . 0.0 109.972 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -67.87 -17.47 64.5 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.99 1.316 . . . . 0.0 111.51 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -93.89 -0.51 55.65 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.64 1.176 . . . . 0.0 110.964 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.8 -5.89 73.24 Favored Glycine 0 CA--C 1.527 0.787 0 CA-C-O 117.26 -1.855 . . . . 0.0 116.257 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -71.51 150.01 45.24 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 120.457 2.128 . . . . 0.0 110.326 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 63.2 m -78.83 160.91 27.13 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 178.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -60.69 -39.67 89.34 Favored 'General case' 0 N--CA 1.456 -0.161 0 O-C-N 121.411 -0.805 . . . . 0.0 109.614 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -60.04 -45.47 92.72 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 118.313 -0.851 . . . . 0.0 110.717 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -58.13 -47.31 83.71 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.427 HG21 HG23 ' A' ' 13' ' ' ILE . 60.7 mt -57.26 -53.45 43.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 C-N-CA 122.994 0.518 . . . . 0.0 109.998 -179.37 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.4 mm100 -61.07 -55.44 32.55 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 118.75 -0.643 . . . . 0.0 110.992 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -49.33 -42.82 42.81 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 124.092 0.957 . . . . 0.0 111.651 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.16 -41.3 77.42 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-O 119.086 -0.483 . . . . 0.0 110.363 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.4 mt -61.01 -45.93 92.82 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 118.706 -0.664 . . . . 0.0 110.9 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.7 t -59.44 -54.08 39.38 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 118.497 0.59 . . . . 0.0 109.656 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.406 HD11 ' HG3' ' B' ' 46' ' ' GLU . 38.3 mt -62.98 -25.39 38.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-O 119.351 -0.357 . . . . 0.0 110.969 -179.067 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.22 10.27 15.14 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.734 1.152 . . . . 0.0 111.624 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 14.9 m170 58.71 37.97 25.04 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.523 1.529 . . . . 0.0 110.291 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.1 m120 85.09 -3.32 0.9 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 129.528 3.131 . . . . 0.0 113.362 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 57.2 t-20 -73.79 108.69 6.77 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 120.113 1.324 . . . . 0.0 113.348 -178.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.0 tp -64.8 -39.79 86.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.735 1.214 . . . . 0.0 113.225 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.4 -41.57 89.13 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 125.077 1.351 . . . . 0.0 111.084 -177.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 15.1 ttt -68.29 -48.45 64.95 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 178.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.68 -38.21 74.75 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 123.213 0.605 . . . . 0.0 110.013 178.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.2 mttt -59.58 -47.32 86.01 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 178.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -57.52 -41.13 80.27 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 59.2 mt -58.96 -55.1 25.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 179.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 90.3 mt -60.58 -17.39 46.13 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.66 0.784 . . . . 0.0 112.631 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -87.12 -39.36 15.61 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-O 118.195 -0.907 . . . . 0.0 112.865 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -96.18 -13.24 23.66 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -110.65 -75.83 0.61 Allowed 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.8 m -71.47 -173.28 0.89 Allowed 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.791 1.636 . . . . 0.0 110.074 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -172.74 -177.96 42.47 Favored Glycine 0 CA--C 1.526 0.749 0 O-C-N 121.044 -1.035 . . . . 0.0 111.056 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -73.46 169.53 22.1 Favored 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 123.405 2.736 . . . . 0.0 110.142 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 39.9 m -144.03 -176.2 4.91 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.229 1.812 . . . . 0.0 108.184 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.5 p -146.96 100.28 3.29 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 120.911 1.687 . . . . 0.0 113.504 -178.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.187 0 C-N-CA 125.925 1.726 . . . . 0.0 109.018 179.215 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.86 0 N-CA-C 109.804 -1.318 . . . . 0.0 109.804 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -47.94 130.31 15.09 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 124.437 1.095 . . . . 0.0 110.698 -178.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 17.6 p -151.66 162.53 40.84 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 124.384 1.074 . . . . 0.0 110.767 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.5 -14.02 15.42 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 127.283 2.373 . . . . 0.0 109.385 178.359 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 6.1 m -138.13 135.53 35.82 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 125.445 1.498 . . . . 0.0 109.232 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 49.4 m -102.8 177.06 4.96 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.501 1.92 . . . . 0.0 107.186 178.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.38 -158.37 26.71 Favored Glycine 0 CA--C 1.524 0.646 0 CA-C-N 119.906 1.23 . . . . 0.0 113.32 -178.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -70.45 174.54 5.62 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 124.844 1.258 . . . . 0.0 110.459 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 8.7 mp -72.46 -15.46 61.81 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.427 0.691 . . . . 0.0 110.898 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 1.4 p -56.13 -49.3 74.31 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.932 0.893 . . . . 0.0 110.665 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 12.0 m -60.35 -32.73 71.54 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.99 0.916 . . . . 0.0 111.112 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -71.25 -36.74 71.89 Favored 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 120.766 -1.209 . . . . 0.0 110.225 -179.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 80.3 mt -64.25 -47.82 88.19 Favored 'Isoleucine or valine' 0 C--N 1.34 0.161 0 N-CA-C 106.395 -1.706 . . . . 0.0 106.395 178.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -60.14 -36.36 77.36 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 48.2 mtm180 -72.68 -31.87 65.38 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.882 0.765 . . . . 0.0 110.411 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.429 HD21 ' HG2' ' B' ' 41' ' ' LYS . 31.6 mt -71.13 -27.84 63.86 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 118.302 -0.856 . . . . 0.0 111.978 179.584 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 62.3 mtt -58.58 -37.01 74.89 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.776 1.171 . . . . 0.0 109.72 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 38.7 t -61.59 -30.73 70.87 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.611 1.165 . . . . 0.0 111.128 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -74.14 -7.98 54.53 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 118.185 -0.912 . . . . 0.0 112.942 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.84 -1.03 55.24 Favored Glycine 0 C--N 1.339 0.702 0 C-N-CA 125.357 1.456 . . . . 0.0 113.498 178.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -78.78 121.91 25.36 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 6.6 m -64.96 153.82 39.41 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -54.69 -38.7 67.33 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 121.703 -0.623 . . . . 0.0 112.188 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -57.87 -50.9 71.75 Favored 'General case' 0 C--O 1.223 -0.292 0 C-N-CA 123.304 0.641 . . . . 0.0 110.719 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.38 -46.96 87.23 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 124.608 1.163 . . . . 0.0 110.578 -179.319 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 44.5 mt -58.96 -48.53 86.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -60.9 -55.86 28.01 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.978 0.911 . . . . 0.0 110.595 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -52.62 -40.7 63.0 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 124.601 1.16 . . . . 0.0 110.724 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.84 -34.42 77.9 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 118.572 -0.728 . . . . 0.0 110.586 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 71.1 mt -67.98 -45.28 74.61 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 119.995 1.27 . . . . 0.0 111.112 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 22.4 t -53.54 -41.02 44.16 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-O 121.521 0.677 . . . . 0.0 110.088 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 27.4 mt -84.45 -37.01 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 C-N-CA 124.6 1.16 . . . . 0.0 112.527 -178.047 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.43 0.45 25.73 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.813 1.188 . . . . 0.0 112.227 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 26.6 m170 61.02 53.68 3.61 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 125.806 1.642 . . . . 0.0 107.52 -178.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 57.51 14.25 2.21 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 129.109 2.964 . . . . 0.0 113.624 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -77.72 105.86 9.16 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 5.8 tp -58.66 -45.1 90.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 C-N-CA 123.584 0.754 . . . . 0.0 111.147 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -62.33 -50.85 69.98 Favored 'General case' 0 C--N 1.335 -0.045 0 CA-C-N 119.497 1.044 . . . . 0.0 111.79 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 17.4 ttt -58.35 -45.45 88.15 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 124.18 0.992 . . . . 0.0 108.388 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.99 97.8 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 123.12 0.568 . . . . 0.0 110.096 179.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.429 ' HG2' HD21 ' B' ' 16' ' ' LEU . 56.4 mttt -61.61 -38.2 86.74 Favored 'General case' 0 CA--C 1.517 -0.325 0 O-C-N 121.597 -0.689 . . . . 0.0 110.626 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -62.55 -38.7 91.06 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.705 0.802 . . . . 0.0 109.094 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 86.9 mt -60.28 -48.54 87.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 47.8 mt -71.98 14.58 0.2 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.957 1.303 . . . . 0.0 111.76 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -131.5 10.33 4.78 Favored 'General case' 0 N--CA 1.462 0.157 0 O-C-N 120.435 -1.416 . . . . 0.0 112.028 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.406 ' HG3' HD11 ' A' ' 32' ' ' ILE . 53.3 mm-40 -137.46 -47.34 0.56 Allowed 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 126.475 1.91 . . . . 0.0 108.721 179.074 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -87.87 -80.05 0.28 Allowed 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 107.713 -1.218 . . . . 0.0 107.713 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 58.1 m -69.64 156.35 39.08 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.612 0.765 . . . . 0.0 110.866 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -134.83 -176.42 14.35 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.317 1.437 . . . . 0.0 112.257 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -71.61 173.9 11.83 Favored 'Trans proline' 0 CA--C 1.533 0.462 0 C-N-CA 124.144 3.229 . . . . 0.0 112.592 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 3.6 m -151.46 162.89 40.16 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 124.867 1.267 . . . . 0.0 108.13 178.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 25.9 p -147.8 143.94 27.85 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 108.075 -1.084 . . . . 0.0 108.075 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.401 0 N-CA-C 105.274 -3.13 . . . . 0.0 105.274 -179.326 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.738 0 N-CA-C 110.495 -1.042 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t -110.89 174.91 5.64 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 124.797 1.239 . . . . 0.0 109.195 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.2 t -139.38 97.58 3.32 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 122.364 1.078 . . . . 0.0 109.807 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.2 176.68 48.14 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 127.034 2.254 . . . . 0.0 107.62 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.3 p -48.24 101.58 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 126.865 2.066 . . . . 0.0 109.937 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.4 p -51.01 107.95 0.21 Allowed 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 126.372 1.869 . . . . 0.0 112.731 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.62 175.64 54.79 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 108.933 -1.667 . . . . 0.0 108.933 178.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -55.56 134.4 50.88 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 tp -61.72 -31.22 71.36 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.694 1.133 . . . . 0.0 112.225 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.4 p -63.03 -10.65 14.9 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.9 m -66.39 -31.48 72.28 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 177.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -76.25 -24.15 54.53 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.045 0.938 . . . . 0.0 110.841 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.37 -42.93 97.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -62.68 -30.27 71.27 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.316 0.647 . . . . 0.0 109.884 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -79.05 -34.16 44.03 Favored 'General case' 0 N--CA 1.462 0.138 0 O-C-N 121.176 -0.953 . . . . 0.0 109.202 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.408 HD21 ' HG2' ' A' ' 41' ' ' LYS . 61.6 mt -71.12 -29.08 64.81 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 118.369 -0.824 . . . . 0.0 110.208 179.15 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 35.7 mtt -58.36 -44.7 88.95 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.4 t -62.12 -23.87 66.8 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.508 1.123 . . . . 0.0 111.411 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -75.17 -3.91 35.73 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 120.198 1.363 . . . . 0.0 111.01 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.62 0.3 60.87 Favored Glycine 0 C--N 1.336 0.529 0 C-N-CA 124.942 1.258 . . . . 0.0 112.984 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -81.17 130.97 35.26 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 118.627 1.213 . . . . 0.0 108.074 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.5 m -70.69 154.3 41.99 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 178.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -53.52 -35.2 60.41 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 124.265 1.026 . . . . 0.0 111.576 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -60.29 -53.8 53.3 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.461 1.104 . . . . 0.0 109.45 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.94 -51.34 70.06 Favored 'General case' 0 N--CA 1.462 0.136 0 C-N-CA 124.526 1.13 . . . . 0.0 109.035 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.6 mt -55.01 -49.06 74.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 C-N-CA 122.834 0.454 . . . . 0.0 110.167 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.5 mm100 -60.51 -55.1 37.54 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 118.607 -0.711 . . . . 0.0 109.959 179.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -49.9 -44.94 50.35 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 119.056 0.844 . . . . 0.0 110.987 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.8 -40.71 96.16 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 118.891 -0.576 . . . . 0.0 110.154 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.6 mt -64.05 -52.42 59.5 Favored 'General case' 0 C--O 1.226 -0.146 0 CA-C-N 118.814 0.734 . . . . 0.0 110.031 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.2 t -56.17 -44.72 79.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 118.695 0.68 . . . . 0.0 111.48 -179.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 72.8 mt -73.01 -26.95 23.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 O-C-N 121.42 -0.8 . . . . 0.0 111.151 -179.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.96 12.62 19.05 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 120.928 -1.107 . . . . 0.0 111.251 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 55.6 m170 53.37 48.96 20.75 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 123.469 1.604 . . . . 0.0 109.694 -178.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.8 m120 60.26 9.64 2.02 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 129.76 3.224 . . . . 0.0 113.772 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 64.0 t-20 -72.28 100.49 2.63 Favored 'General case' 0 CA--C 1.528 0.097 0 CA-C-N 119.354 0.979 . . . . 0.0 108.558 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.9 tp -59.14 -34.95 54.99 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 118.46 0.573 . . . . 0.0 111.862 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -64.64 -40.13 94.91 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 119.561 1.073 . . . . 0.0 111.657 -178.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 23.8 ttt -77.2 -43.39 33.85 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 126.713 2.005 . . . . 0.0 108.274 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.45 -43.77 88.97 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.81 0.844 . . . . 0.0 109.803 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.408 ' HG2' HD21 ' A' ' 16' ' ' LEU . 75.1 mttt -58.71 -34.87 71.8 Favored 'General case' 0 N--CA 1.462 0.171 0 O-C-N 121.579 -0.701 . . . . 0.0 111.109 178.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -64.93 -43.97 91.0 Favored 'General case' 0 C--O 1.227 -0.09 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 69.3 mt -54.34 -53.71 27.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 179.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.52 -15.26 49.49 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -107.66 -10.22 15.69 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 120.039 1.291 . . . . 0.0 114.114 -178.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.411 ' HG3' HD11 ' B' ' 32' ' ' ILE . 5.0 mm-40 -102.38 -35.02 8.96 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 124.143 0.977 . . . . 0.0 109.442 179.354 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -103.88 -76.57 0.59 Allowed 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.935 0.894 . . . . 0.0 110.135 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.2 m -61.94 174.85 0.77 Allowed 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.426 1.89 . . . . 0.0 112.236 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -154.3 178.76 30.95 Favored Glycine 0 CA--C 1.533 1.21 0 O-C-N 121.685 -0.634 . . . . 0.0 112.994 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -72.0 178.63 5.69 Favored 'Trans proline' 0 CA--C 1.539 0.775 0 C-N-CA 124.393 3.395 . . . . 0.0 111.884 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.3 t -143.23 -169.57 3.07 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 124.176 0.99 . . . . 0.0 109.595 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.7 p -151.54 160.04 43.86 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 128.08 2.552 . . . . 0.0 106.116 178.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.304 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 -179.504 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.091 0 CA-C-O 120.975 0.209 . . . . 0.0 112.704 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.83 91.22 1.53 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.731 1.212 . . . . 0.0 107.877 179.1 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 16.7 t -59.85 135.65 57.76 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 124.633 1.173 . . . . 0.0 111.285 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.77 -174.44 41.46 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 127.557 2.503 . . . . 0.0 107.932 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 34.8 p -63.58 103.43 0.54 Allowed 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 178.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.46 157.37 11.39 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 124.791 1.236 . . . . 0.0 113.119 -178.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.6 -171.4 20.06 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 125.095 1.331 . . . . 0.0 111.452 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.38 132.14 43.58 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 125.336 1.454 . . . . 0.0 111.15 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 8.7 tp -70.38 -10.17 58.3 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.752 1.221 . . . . 0.0 112.719 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 2.0 p -70.13 -25.2 63.37 Favored 'General case' 0 N--CA 1.456 -0.174 0 O-C-N 121.048 -1.033 . . . . 0.0 111.372 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -62.25 -20.01 63.81 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.841 0.746 . . . . 0.0 112.284 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -85.7 -23.45 27.39 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.155 1.382 . . . . 0.0 111.022 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 89.5 mt -61.12 -47.29 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -60.86 -29.6 69.62 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.628 1.171 . . . . 0.0 111.606 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -69.49 -43.83 72.35 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 20.8 mt -66.5 -27.64 67.93 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.731 0.812 . . . . 0.0 111.233 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 33.9 mtt -61.49 -43.17 99.34 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 178.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 9.5 t -72.36 -21.29 61.32 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 122.161 -0.337 . . . . 0.0 110.775 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -74.03 -3.21 27.93 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 120.964 -1.085 . . . . 0.0 110.901 178.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.45 -0.4 59.81 Favored Glycine 0 C--N 1.339 0.703 0 C-N-CA 125.076 1.322 . . . . 0.0 114.246 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -81.9 135.04 35.44 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 118.816 1.308 . . . . 0.0 109.936 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 47.1 m -75.74 152.56 37.39 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.011 -0.736 . . . . 0.0 109.011 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -50.16 -42.65 51.37 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 19.3 mp0 -59.03 -53.52 57.51 Favored 'General case' 0 C--O 1.226 -0.133 0 C-N-CA 123.205 0.602 . . . . 0.0 110.169 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.4 -47.16 76.3 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 124.874 1.27 . . . . 0.0 109.043 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 70.8 mt -58.34 -52.0 64.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 122.946 0.498 . . . . 0.0 109.951 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 -62.46 -42.04 99.19 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 119.155 -0.45 . . . . 0.0 111.577 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -59.17 -47.51 85.04 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 123.296 0.639 . . . . 0.0 109.661 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.37 -40.56 94.76 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 120.472 -0.491 . . . . 0.0 109.821 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 12.0 mt -63.0 -54.41 38.66 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 118.672 -0.68 . . . . 0.0 112.129 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 8.3 p -58.78 -47.03 90.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 118.297 0.499 . . . . 0.0 111.846 -178.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.411 HD11 ' HG3' ' A' ' 46' ' ' GLU . 54.4 mt -64.09 -32.72 58.46 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-O 119.25 -0.405 . . . . 0.0 110.385 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.15 8.03 14.32 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.806 0.73 . . . . 0.0 111.668 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 3.7 m170 56.7 53.57 8.22 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.981 1.712 . . . . 0.0 107.524 -178.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 12.0 m120 67.26 -2.53 1.21 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 128.146 2.579 . . . . 0.0 113.514 -179.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -67.33 104.14 1.43 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 120.545 1.52 . . . . 0.0 110.946 -178.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 4.8 tp -56.36 -43.39 77.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 C-N-CA 125.284 1.433 . . . . 0.0 113.66 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -67.35 -49.48 63.87 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 125.096 1.358 . . . . 0.0 110.318 -178.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 14.3 ttt -61.21 -43.49 98.79 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.87 1.268 . . . . 0.0 108.069 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.68 -43.43 98.83 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.172 0.989 . . . . 0.0 109.935 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -58.69 -39.21 80.08 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 121.426 -0.796 . . . . 0.0 109.069 178.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -61.05 -40.16 92.58 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 118.556 0.616 . . . . 0.0 109.503 179.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 68.0 mt -59.25 -52.23 63.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 178.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 97.5 mt -61.52 -23.23 65.79 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.417 0.687 . . . . 0.0 112.268 179.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -81.24 -42.1 21.24 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 117.635 -1.174 . . . . 0.0 112.24 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -94.29 -15.5 24.42 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 -178.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -113.95 -69.0 0.89 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 119.597 1.089 . . . . 0.0 111.525 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 8.5 t -67.61 177.06 2.14 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.972 0.909 . . . . 0.0 111.081 -179.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -165.86 168.18 39.55 Favored Glycine 0 CA--C 1.533 1.157 0 O-C-N 121.499 -0.751 . . . . 0.0 111.565 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -68.53 173.29 10.04 Favored 'Trans proline' 0 CA--C 1.536 0.609 0 C-N-CA 124.008 3.139 . . . . 0.0 111.361 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.96 -171.46 2.53 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.566 1.547 . . . . 0.0 109.592 -179.566 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 62.9 p -140.49 149.44 42.5 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 178.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.876 0 N-CA-C 103.604 -3.798 . . . . 0.0 103.604 -177.834 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.764 0 N-CA-C 110.279 -1.128 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 p -73.48 -82.55 0.05 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.617 1.567 . . . . 0.0 109.175 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t -67.58 -21.76 65.41 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.511 0.724 . . . . 0.0 111.016 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.1 -164.66 52.94 Favored Glycine 0 C--N 1.337 0.617 0 N-CA-C 110.222 -1.151 . . . . 0.0 110.222 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 m -87.34 -37.13 17.39 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 123.907 0.883 . . . . 0.0 112.064 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 m -74.67 158.82 32.95 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 121.477 -0.764 . . . . 0.0 112.103 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.78 70.34 0.03 OUTLIER Glycine 0 CA--C 1.519 0.332 0 N-CA-C 108.598 -1.801 . . . . 0.0 108.598 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -120.58 76.32 1.19 Allowed 'General case' 0 C--O 1.231 0.132 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.8 mp -66.33 -20.78 66.18 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -178.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.8 m -54.12 -43.05 70.13 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 119.533 1.061 . . . . 0.0 110.611 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.9 m -62.68 -27.01 68.95 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.149 0.98 . . . . 0.0 111.389 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -82.1 -27.85 32.63 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.052 0.941 . . . . 0.0 110.271 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.472 HG23 HG21 ' A' ' 26' ' ' ILE . 74.5 mt -62.27 -44.81 99.57 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 N-CA-C 105.047 -2.205 . . . . 0.0 105.047 178.006 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -61.69 -35.48 78.11 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.336 -0.853 . . . . 0.0 110.66 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.6 mmp_? -64.0 -46.15 85.8 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.6 mt -66.23 -36.31 82.69 Favored 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 124.928 1.291 . . . . 0.0 111.483 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 49.9 mtt -58.33 -29.84 66.23 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 119.262 0.937 . . . . 0.0 110.398 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -72.64 6.3 2.55 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.547 1.939 . . . . 0.0 113.271 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -115.74 -3.09 12.28 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 126.103 1.761 . . . . 0.0 111.861 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.8 -15.36 55.65 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 125.004 1.288 . . . . 0.0 112.548 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -64.63 119.99 11.56 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 119.187 1.494 . . . . 0.0 109.691 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 59.3 m -71.42 158.98 35.33 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -51.6 -40.24 59.48 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 121.668 -0.645 . . . . 0.0 112.218 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -49.72 -58.97 4.27 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.514 1.126 . . . . 0.0 110.536 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.23 -47.14 87.45 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 126.228 1.811 . . . . 0.0 110.378 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.472 HG21 HG23 ' A' ' 13' ' ' ILE . 60.7 mt -56.52 -47.64 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 119.255 0.934 . . . . 0.0 110.325 -179.642 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -63.69 -52.43 60.67 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-O 117.566 -1.207 . . . . 0.0 109.34 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -50.23 -41.83 50.72 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.257 1.39 . . . . 0.0 110.725 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.54 -50.14 66.31 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.232 0.613 . . . . 0.0 109.941 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.4 mt -60.92 -45.85 93.01 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 118.812 0.733 . . . . 0.0 111.37 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.3 t -56.21 -55.32 19.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 C-N-CA 126.739 2.016 . . . . 0.0 109.451 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.9 mt -67.53 -22.46 28.66 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.868 0 O-C-N 121.689 -0.632 . . . . 0.0 110.206 -178.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.0 9.07 29.34 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 125.225 1.41 . . . . 0.0 113.086 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 56.23 40.09 30.07 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 118.652 0.66 . . . . 0.0 109.34 -178.548 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 66.25 24.88 10.64 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 127.129 2.172 . . . . 0.0 114.632 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -92.05 109.78 21.14 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 177.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.9 tp -68.44 -39.98 81.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-O 118.631 -0.699 . . . . 0.0 112.141 -179.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -57.09 -44.36 83.09 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 119.218 0.917 . . . . 0.0 109.684 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.5 ttt -65.79 -54.92 20.59 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 126.632 1.973 . . . . 0.0 109.003 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.95 -40.34 69.85 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.013 0.525 . . . . 0.0 111.616 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.0 mttm -58.67 -44.13 90.11 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 117.879 -1.057 . . . . 0.0 110.522 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -64.73 -43.6 92.84 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 118.829 0.741 . . . . 0.0 110.152 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.413 HG13 HG21 ' B' ' 32' ' ' ILE . 71.4 mt -58.37 -50.9 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -179.48 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 82.0 mt -61.87 -43.12 99.49 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 54.3 ttt85 -63.57 -35.35 80.2 Favored 'General case' 0 C--O 1.226 -0.184 0 CA-C-O 118.118 -0.944 . . . . 0.0 111.924 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -85.55 -69.2 0.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 119.721 1.146 . . . . 0.0 112.78 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -65.43 -51.14 62.36 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 125.099 1.36 . . . . 0.0 114.631 -177.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.0 t -88.92 14.13 11.18 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.227 1.411 . . . . 0.0 111.815 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -105.39 -169.74 23.83 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 120.796 -1.19 . . . . 0.0 114.376 -178.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -71.81 -24.6 21.13 Favored 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 122.692 2.261 . . . . 0.0 114.983 -179.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.7 t -68.24 120.58 14.63 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 126.305 1.842 . . . . 0.0 110.715 -179.079 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 53.5 m -80.86 -120.82 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.504 1.122 . . . . 0.0 109.848 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.267 0 N-CA-C 107.195 -2.362 . . . . 0.0 107.195 179.678 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.956 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 66.5 m -127.51 -18.25 4.44 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.937 1.295 . . . . 0.0 112.208 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -139.62 6.92 2.3 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.014 1.726 . . . . 0.0 110.187 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.24 -146.27 45.97 Favored Glycine 0 C--N 1.339 0.717 0 C-N-CA 125.446 1.498 . . . . 0.0 110.681 -179.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 13.7 m -109.87 -65.52 1.15 Allowed 'General case' 0 C--O 1.234 0.258 0 N-CA-C 105.681 -1.97 . . . . 0.0 105.681 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 70.0 m -64.9 150.36 47.94 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 178.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.31 60.65 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 42.1 mm-40 -91.27 150.17 21.44 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 107.2 -1.408 . . . . 0.0 107.2 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mp -114.19 -17.37 11.89 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 51.1 m -59.25 -42.72 91.79 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 119.975 1.262 . . . . 0.0 111.89 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 9.9 m -63.07 -20.46 65.36 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.137 0.575 . . . . 0.0 111.545 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -88.06 -29.38 20.7 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 123.618 0.767 . . . . 0.0 109.03 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 88.8 mt -65.62 -43.95 93.8 Favored 'Isoleucine or valine' 0 C--N 1.345 0.397 0 N-CA-C 104.184 -2.524 . . . . 0.0 104.184 177.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -56.82 -45.29 82.38 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.425 1.09 . . . . 0.0 109.158 178.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 8.1 mmp_? -61.62 -44.75 96.4 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 21.8 mt -65.49 -29.78 70.48 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.502 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 7.6 mtt -62.76 -42.75 99.83 Favored 'General case' 0 C--N 1.34 0.16 0 CA-C-N 120.361 1.437 . . . . 0.0 108.279 178.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 29.9 t -58.33 -26.11 62.71 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.657 0.783 . . . . 0.0 110.99 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 39.3 mm-40 -68.43 -13.39 62.27 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 119.922 -1.736 . . . . 0.0 110.451 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.35 -3.39 56.58 Favored Glycine 0 CA--C 1.526 0.771 0 C-N-CA 126.423 1.963 . . . . 0.0 114.27 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -69.56 165.07 21.86 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 118.927 1.363 . . . . 0.0 112.443 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 66.5 m -80.9 151.84 28.4 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.638 1.575 . . . . 0.0 109.603 178.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -58.09 -45.36 87.29 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 119.324 0.965 . . . . 0.0 110.659 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -55.08 -51.09 67.48 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 124.723 1.209 . . . . 0.0 111.302 -179.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.82 -37.22 73.41 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.937 0.895 . . . . 0.0 110.634 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 75.3 mt -63.3 -48.71 86.11 Favored 'Isoleucine or valine' 0 C--O 1.231 0.082 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -62.52 -45.31 93.58 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-O 119.054 -0.498 . . . . 0.0 110.494 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -58.53 -48.06 82.12 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 123.338 0.655 . . . . 0.0 109.995 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.23 -38.69 91.19 Favored 'General case' 0 C--O 1.226 -0.136 0 CA-C-N 118.984 0.811 . . . . 0.0 110.463 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 19.2 mt -62.0 -52.41 64.09 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 118.349 -0.834 . . . . 0.0 110.814 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 11.1 p -60.46 -48.22 89.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-N 118.761 0.71 . . . . 0.0 111.368 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.413 HG21 HG13 ' A' ' 43' ' ' ILE . 56.8 mt -63.31 -31.02 51.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 CA-C-N 118.868 0.758 . . . . 0.0 109.583 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.31 7.9 10.4 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.305 1.042 . . . . 0.0 111.566 178.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 58.5 m170 55.16 43.61 29.15 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.052 1.341 . . . . 0.0 107.881 -177.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 67.2 8.91 6.55 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 129.127 2.971 . . . . 0.0 113.664 -178.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -74.64 106.28 6.14 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 121.159 1.8 . . . . 0.0 106.749 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 8.8 tp -59.89 -39.71 80.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 124.3 1.04 . . . . 0.0 113.045 -179.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -68.97 -45.06 71.62 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 119.258 0.936 . . . . 0.0 109.09 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 11.4 ttt -59.69 -46.49 88.92 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 178.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.08 97.17 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -56.0 -37.46 69.17 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-O 117.973 -1.013 . . . . 0.0 108.933 178.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -66.28 -51.24 59.42 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.585 1.084 . . . . 0.0 108.341 178.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 65.3 mt -50.01 -52.78 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-O 121.972 0.892 . . . . 0.0 108.742 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 76.5 mt -65.51 -35.36 80.63 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 124.859 1.264 . . . . 0.0 114.179 -178.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 33.1 ttt85 -71.02 -27.04 63.39 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 120.525 1.512 . . . . 0.0 112.648 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -91.88 -78.66 0.4 Allowed 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -57.73 -61.06 2.79 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 125.823 1.649 . . . . 0.0 114.506 -178.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 4.0 t -76.43 4.05 9.87 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 118.822 0.737 . . . . 0.0 110.494 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.11 -173.6 40.62 Favored Glycine 0 N--CA 1.441 -0.981 0 C-N-CA 124.529 1.061 . . . . 0.0 111.994 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -73.59 12.3 0.91 Allowed 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 125.191 3.927 . . . . 0.0 112.536 179.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 3.9 t -70.02 171.66 9.15 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 121.107 -0.996 . . . . 0.0 108.929 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 19.8 m -132.96 -18.92 2.3 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 114.417 1.265 . . . . 0.0 114.417 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.169 0 N-CA-C 106.824 -2.511 . . . . 0.0 106.824 -178.562 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.772 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -59.44 122.48 14.08 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.8 p -134.68 -2.91 2.64 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 124.612 1.165 . . . . 0.0 112.498 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.6 141.1 6.78 Favored Glycine 0 C--N 1.338 0.667 0 CA-C-N 119.415 1.007 . . . . 0.0 112.612 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 m -79.32 167.46 20.87 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.708 0.803 . . . . 0.0 110.443 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.17 177.99 8.74 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 124.704 1.201 . . . . 0.0 109.463 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.69 -106.39 2.05 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 105.642 -2.983 . . . . 0.0 105.642 -178.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -86.89 115.8 24.54 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 117.599 0.7 . . . . 0.0 109.151 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.6 tp -93.02 -18.45 22.66 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.587 1.155 . . . . 0.0 109.0 178.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 61.6 m -57.12 -28.7 62.92 Favored 'General case' 0 C--N 1.342 0.276 0 C-N-CA 124.567 1.147 . . . . 0.0 110.829 178.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.6 -8.92 4.97 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 125.935 1.694 . . . . 0.0 113.17 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -111.46 -25.87 9.38 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.131 1.772 . . . . 0.0 108.918 178.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.463 HG23 HG21 ' A' ' 26' ' ' ILE . 59.0 mt -67.57 -45.41 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 N-CA-C 105.416 -2.068 . . . . 0.0 105.416 177.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -59.71 -28.84 67.67 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.593 0.757 . . . . 0.0 111.353 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -75.76 -38.49 58.33 Favored 'General case' 0 CA--C 1.513 -0.48 0 C-N-CA 123.85 0.86 . . . . 0.0 110.485 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.3 mt -62.15 -38.72 90.07 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 41.4 mtt -60.18 -29.02 68.42 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 118.322 0.51 . . . . 0.0 111.195 179.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 t -61.7 -44.29 97.21 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 124.717 1.207 . . . . 0.0 111.466 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -67.1 -22.88 65.8 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 117.914 -1.041 . . . . 0.0 112.549 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 125.28 13.37 3.56 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 124.56 1.076 . . . . 0.0 113.171 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -83.36 177.07 8.66 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 119.234 1.517 . . . . 0.0 110.623 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.1 t -127.56 152.42 47.64 Favored 'General case' 0 CA--C 1.518 -0.281 0 O-C-N 121.42 -0.8 . . . . 0.0 110.977 -178.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -53.48 -37.72 62.97 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 122.891 0.477 . . . . 0.0 111.414 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -60.63 -61.91 2.25 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 118.495 0.589 . . . . 0.0 110.867 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -56.51 -46.9 80.3 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 123.667 0.787 . . . . 0.0 109.732 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.463 HG21 HG23 ' A' ' 13' ' ' ILE . 57.4 mt -54.37 -48.64 68.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-N 119.972 1.26 . . . . 0.0 110.044 179.244 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -64.83 -39.13 93.08 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 118.462 -0.78 . . . . 0.0 112.035 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -61.54 -42.74 99.28 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 178.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.47 -44.08 88.29 Favored 'General case' 0 C--O 1.226 -0.174 0 O-C-N 121.461 -0.774 . . . . 0.0 109.85 179.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.2 mt -62.2 -32.34 72.98 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 118.014 -0.993 . . . . 0.0 113.393 -179.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.7 p -76.9 -47.33 27.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.145 0 CA-C-N 119.891 1.223 . . . . 0.0 109.747 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 76.4 mt -64.85 -32.73 59.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.49 6.07 9.38 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.968 0.907 . . . . 0.0 111.638 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.9 m170 55.78 51.37 12.47 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.725 1.61 . . . . 0.0 109.473 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.3 m120 64.22 14.38 8.61 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 127.582 2.353 . . . . 0.0 113.363 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -85.69 103.97 14.99 Favored 'General case' 0 C--O 1.232 0.154 0 O-C-N 120.469 -1.394 . . . . 0.0 109.062 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.4 tp -61.55 -37.81 78.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 123.888 0.875 . . . . 0.0 111.876 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -65.93 -51.76 55.73 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 119.475 1.034 . . . . 0.0 109.105 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.408 ' HE2' ' HA ' ' B' ' 33' ' ' ALA . 6.1 ttt -57.66 -47.2 82.95 Favored 'General case' 0 C--N 1.334 -0.072 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 179.302 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.56 -45.09 92.84 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 122.96 0.504 . . . . 0.0 110.353 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.4 mttm -57.42 -37.58 72.98 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 119.574 1.079 . . . . 0.0 109.935 179.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -65.1 -43.86 90.7 Favored 'General case' 0 C--O 1.226 -0.161 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 178.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 82.8 mt -58.92 -53.28 49.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 22.5 mt -57.6 -29.11 64.22 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.069 0.947 . . . . 0.0 110.428 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -78.11 -63.4 1.4 Allowed 'General case' 0 C--O 1.224 -0.255 0 O-C-N 120.964 -1.085 . . . . 0.0 111.224 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -64.8 -27.34 68.82 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 -177.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -108.31 -53.91 2.57 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 119.141 0.882 . . . . 0.0 113.376 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.68 -10.32 59.3 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 120.401 -0.52 . . . . 0.0 111.486 -179.315 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -103.88 -175.62 25.71 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 125.048 1.308 . . . . 0.0 110.033 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -78.41 -163.63 0.23 Allowed 'Trans proline' 0 CA--C 1.542 0.901 0 C-N-CA 124.336 3.357 . . . . 0.0 110.028 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.1 t -121.73 3.82 10.06 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.073 1.349 . . . . 0.0 109.893 178.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.6 m -148.17 54.5 1.03 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.854 2.062 . . . . 0.0 107.287 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.961 0 N-CA-C 107.654 -2.178 . . . . 0.0 107.654 -179.758 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.663 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.0 t -70.45 142.07 52.01 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.062 0.931 . . . . 0.0 110.397 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.7 p -121.52 1.67 10.11 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.169 1.788 . . . . 0.0 112.55 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.38 165.24 11.43 Favored Glycine 0 CA--C 1.527 0.834 0 C-N-CA 124.877 1.227 . . . . 0.0 111.104 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 22.6 p -80.19 179.62 7.55 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.964 1.306 . . . . 0.0 109.435 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -163.59 163.21 24.57 Favored 'General case' 0 C--O 1.234 0.242 0 O-C-N 120.842 -1.161 . . . . 0.0 109.434 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.95 -36.89 3.51 Favored Glycine 0 C--N 1.333 0.368 0 CA-C-O 118.252 -1.304 . . . . 0.0 113.878 178.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -145.83 77.05 1.49 Allowed 'General case' 0 N--CA 1.457 -0.118 0 CA-C-N 119.693 1.746 . . . . 0.0 108.644 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 mp -62.98 -21.89 66.45 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 121.373 -0.83 . . . . 0.0 111.331 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 40.2 m -60.4 -24.75 65.39 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.025 0.83 . . . . 0.0 110.782 178.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 19.9 m -61.06 -34.6 75.15 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 121.092 -1.005 . . . . 0.0 110.783 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -80.73 -24.98 38.37 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.55 -0.718 . . . . 0.0 110.47 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.428 HG23 HG21 ' B' ' 26' ' ' ILE . 57.5 mt -61.97 -44.63 99.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 N-CA-C 105.55 -2.018 . . . . 0.0 105.55 178.368 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -65.38 -32.42 74.04 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.56 -0.712 . . . . 0.0 111.592 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -69.05 -37.25 78.46 Favored 'General case' 0 C--O 1.232 0.177 0 O-C-N 121.14 -0.975 . . . . 0.0 108.618 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 14.4 mt -68.03 -45.19 74.67 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 43.8 mtt -49.88 -36.71 28.21 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.921 0.888 . . . . 0.0 111.812 179.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -55.22 -27.98 49.93 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.04 1.736 . . . . 0.0 112.85 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -78.9 -8.17 58.62 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.666 1.186 . . . . 0.0 112.057 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.85 11.97 29.06 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.387 1.47 . . . . 0.0 110.255 -178.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -80.58 162.44 24.27 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-N 118.743 1.272 . . . . 0.0 108.862 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 29.2 t -117.65 155.39 29.98 Favored 'General case' 0 CA--C 1.52 -0.186 0 C-N-CA 124.001 0.92 . . . . 0.0 109.59 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -53.49 -36.5 61.76 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.42 1.088 . . . . 0.0 110.34 178.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -57.95 -57.75 11.42 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 122.791 0.436 . . . . 0.0 110.992 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -64.62 -45.14 88.17 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.271 1.029 . . . . 0.0 111.06 -179.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.428 HG21 HG23 ' B' ' 13' ' ' ILE . 35.4 mt -55.09 -48.81 75.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 CA-C-N 119.513 1.051 . . . . 0.0 109.48 179.428 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -65.79 -45.86 80.85 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.634 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -54.56 -35.19 62.99 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 120.195 1.361 . . . . 0.0 111.335 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.39 -48.57 40.42 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 18.6 mt -53.63 -44.87 69.9 Favored 'General case' 0 C--N 1.338 0.099 0 CA-C-O 118.357 -0.83 . . . . 0.0 110.776 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 93.5 t -55.04 -50.53 62.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 123.804 0.841 . . . . 0.0 110.767 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 40.5 mt -68.5 -31.1 49.79 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 C-N-CA 123.781 0.833 . . . . 0.0 110.409 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.408 ' HA ' ' HE2' ' A' ' 39' ' ' MET . . . -83.13 14.07 3.69 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-O 117.816 -1.088 . . . . 0.0 111.772 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 27.0 m170 55.2 39.24 31.34 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 120.848 1.658 . . . . 0.0 109.303 -178.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 m120 64.79 10.66 6.25 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 127.95 2.5 . . . . 0.0 112.321 -179.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -72.53 104.52 3.87 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 6.4 tp -63.61 -38.12 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 O-C-N 121.645 -0.659 . . . . 0.0 112.356 -179.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -62.37 -49.28 76.16 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 119.074 0.852 . . . . 0.0 109.379 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 8.9 ttt -62.31 -48.45 79.81 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.61 -43.47 84.78 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 121.702 -0.623 . . . . 0.0 110.841 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -56.64 -35.82 68.8 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.593 0.757 . . . . 0.0 109.464 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -67.75 -47.58 68.83 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 26.3 mt -54.52 -58.15 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.006 0.923 . . . . 0.0 108.573 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 15.2 mt -53.72 -41.99 67.62 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 126.87 2.068 . . . . 0.0 110.919 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 54.5 ttt180 -62.38 -40.95 98.13 Favored 'General case' 0 C--O 1.227 -0.105 0 CA-C-N 119.138 0.881 . . . . 0.0 112.079 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -87.95 -58.26 2.63 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 -178.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -72.83 -21.66 60.92 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 116.043 1.868 . . . . 0.0 116.043 -177.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 4.8 t -120.27 -6.54 9.87 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 118.74 0.7 . . . . 0.0 111.52 -178.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -111.41 -177.37 20.32 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 125.373 1.463 . . . . 0.0 110.661 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -73.21 141.26 32.08 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.969 2.446 . . . . 0.0 113.484 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 4.7 t -75.05 -15.63 60.62 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.773 0.829 . . . . 0.0 111.703 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 15.7 m -126.39 1.57 7.0 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.069 0.948 . . . . 0.0 113.14 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.208 0 N-CA-C 109.132 -1.587 . . . . 0.0 109.132 -179.783 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.237 0 N-CA-C 112.295 -0.322 . . . . 0.0 112.295 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.8 t -146.8 153.91 40.74 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 124.662 1.185 . . . . 0.0 109.778 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.3 p -67.61 151.94 46.46 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 123.533 0.733 . . . . 0.0 111.099 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.83 -3.55 43.3 Favored Glycine 0 CA--C 1.533 1.218 0 O-C-N 121.52 -0.737 . . . . 0.0 113.092 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t -76.57 153.96 34.91 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 119.095 1.448 . . . . 0.0 108.94 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 p -75.47 -48.27 23.44 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 124.975 1.31 . . . . 0.0 111.324 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.48 -41.15 1.94 Allowed Glycine 0 CA--C 1.527 0.8 0 N-CA-C 108.203 -1.959 . . . . 0.0 108.203 -178.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -61.18 135.27 57.69 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 123.772 0.829 . . . . 0.0 110.639 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.9 mp -70.96 -19.86 62.51 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.18 0.592 . . . . 0.0 111.592 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.6 m -51.75 -49.63 62.21 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 125.32 1.448 . . . . 0.0 112.495 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.4 m -70.92 -18.19 62.66 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -179.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -81.71 -30.05 32.73 Favored 'General case' 0 N--CA 1.458 -0.053 0 O-C-N 121.18 -0.95 . . . . 0.0 110.252 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.2 mt -62.37 -40.1 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 N-CA-C 105.516 -2.031 . . . . 0.0 105.516 178.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -59.73 -48.4 81.84 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 53.5 mtm180 -65.39 -23.01 66.86 Favored 'General case' 0 C--N 1.342 0.262 0 O-C-N 121.819 -0.551 . . . . 0.0 111.545 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 26.1 mt -76.83 -33.98 57.91 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 119.848 1.204 . . . . 0.0 108.303 178.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 30.3 mtt -62.01 -33.96 75.32 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 108.199 -1.038 . . . . 0.0 108.199 178.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.2 m -60.14 -39.85 87.77 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.154 1.382 . . . . 0.0 109.725 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -69.67 -8.78 50.68 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.213 1.005 . . . . 0.0 111.86 178.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.54 -6.94 45.73 Favored Glycine 0 CA--C 1.524 0.625 0 C-N-CA 125.58 1.562 . . . . 0.0 114.435 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -62.57 143.09 57.64 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -178.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.8 m -81.64 146.22 30.18 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.265 1.426 . . . . 0.0 107.614 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -54.0 -45.13 71.38 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.445 1.098 . . . . 0.0 111.082 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -57.96 -54.32 48.23 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 123.264 0.626 . . . . 0.0 109.601 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -56.04 -44.97 79.31 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.07 0.548 . . . . 0.0 110.188 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 60.5 mt -58.76 -56.51 16.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 O-C-N 121.168 -0.958 . . . . 0.0 109.755 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -56.46 -45.71 80.71 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 118.707 -0.663 . . . . 0.0 111.874 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -60.96 -42.59 98.57 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.082 0.953 . . . . 0.0 109.597 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.25 -45.55 84.13 Favored 'General case' 0 CA--C 1.528 0.125 0 O-C-N 121.169 -0.957 . . . . 0.0 110.546 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 47.6 mt -61.35 -46.99 87.94 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 114.471 1.285 . . . . 0.0 114.471 -178.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.8 p -61.9 -45.89 97.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 118.109 0.413 . . . . 0.0 109.946 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.585 HD11 ' HG3' ' B' ' 46' ' ' GLU . 87.2 mt -67.27 -37.93 79.99 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 O-C-N 121.942 -0.474 . . . . 0.0 110.2 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.63 2.83 4.62 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 118.585 -0.722 . . . . 0.0 111.817 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 32.8 m170 58.4 59.64 2.91 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.482 1.913 . . . . 0.0 108.7 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 52.29 40.61 29.48 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 126.337 1.855 . . . . 0.0 112.605 178.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -115.98 99.29 7.16 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.6 tp -60.71 -36.22 69.4 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.164 0 C-N-CA 124.525 1.13 . . . . 0.0 111.756 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -67.61 -50.9 55.86 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 123.827 0.851 . . . . 0.0 109.187 -179.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 17.7 ttt -61.06 -46.36 91.0 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.45 -36.71 83.32 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 121.324 -0.86 . . . . 0.0 111.152 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -61.42 -34.09 74.8 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.427 1.012 . . . . 0.0 109.349 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -65.07 -50.81 64.7 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 178.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 53.1 mt -54.3 -56.2 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 C-N-CA 123.992 0.917 . . . . 0.0 109.18 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.0 mt -55.01 -25.35 29.55 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.994 0.917 . . . . 0.0 112.934 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -91.26 -49.03 6.58 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 120.764 1.62 . . . . 0.0 110.35 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -67.77 -28.54 67.7 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 117.952 -1.023 . . . . 0.0 113.47 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -112.73 -21.98 10.94 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.1 m -126.55 16.18 7.6 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.487 1.04 . . . . 0.0 112.766 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -135.6 167.07 24.37 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 125.947 1.737 . . . . 0.0 108.788 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -74.73 138.2 23.41 Favored 'Trans proline' 0 N--CA 1.449 -1.133 0 C-N-CA 122.33 2.02 . . . . 0.0 110.621 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.3 t -81.38 67.4 7.3 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 106.642 -1.614 . . . . 0.0 106.642 178.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.3 m -64.99 -9.83 24.68 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.346 1.058 . . . . 0.0 112.167 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.917 0 N-CA-C 106.883 -2.487 . . . . 0.0 106.883 179.595 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.953 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 45.1 t -157.03 164.97 37.38 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 124.952 1.301 . . . . 0.0 107.685 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.0 p -71.73 148.09 46.72 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.78 28.29 62.89 Favored Glycine 0 CA--C 1.532 1.112 0 CA-C-O 119.181 -0.788 . . . . 0.0 112.529 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -99.83 106.33 18.18 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 105.009 -2.219 . . . . 0.0 105.009 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 88.9 p -66.84 -5.89 14.15 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.131 1.772 . . . . 0.0 114.662 -178.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.46 -40.09 3.09 Favored Glycine 0 CA--C 1.526 0.738 0 CA-C-O 118.638 -1.09 . . . . 0.0 111.589 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -60.87 163.01 6.14 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 118.784 1.292 . . . . 0.0 111.306 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 7.4 mp -108.21 -13.4 14.92 Favored 'General case' 0 C--O 1.226 -0.174 0 N-CA-C 113.229 0.826 . . . . 0.0 113.229 -178.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 1.8 p -56.73 -59.2 5.37 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 124.584 1.153 . . . . 0.0 110.297 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 18.0 m -61.43 -21.34 64.04 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 122.848 0.459 . . . . 0.0 111.669 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -75.48 -26.6 58.32 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 120.695 -1.253 . . . . 0.0 110.802 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 77.9 mt -66.57 -45.08 89.58 Favored 'Isoleucine or valine' 0 C--N 1.341 0.238 0 N-CA-C 104.36 -2.459 . . . . 0.0 104.36 177.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -61.49 -40.18 93.63 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.911 0.885 . . . . 0.0 108.913 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 32.7 mtm180 -64.98 -33.0 74.99 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 119.133 0.879 . . . . 0.0 109.958 178.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 23.1 mt -70.27 -35.87 74.03 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 118.966 0.803 . . . . 0.0 108.997 178.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 53.9 mtt -56.12 -32.0 63.82 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 118.725 0.693 . . . . 0.0 110.904 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 6.4 m -60.7 -28.62 68.77 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.93 0.892 . . . . 0.0 111.84 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -80.77 -10.29 59.74 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 118.886 0.766 . . . . 0.0 110.719 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.05 3.63 48.39 Favored Glycine 0 CA--C 1.524 0.597 0 C-N-CA 124.883 1.23 . . . . 0.0 112.604 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -65.43 155.34 35.8 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 119.908 1.854 . . . . 0.0 110.189 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 30.8 t -92.25 143.04 26.82 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.727 1.611 . . . . 0.0 108.286 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -55.66 -39.18 70.57 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.754 0.822 . . . . 0.0 110.334 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -60.92 -51.64 68.4 Favored 'General case' 0 C--N 1.339 0.142 0 C-N-CA 122.744 0.418 . . . . 0.0 110.996 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -61.91 -42.01 98.58 Favored 'General case' 0 N--CA 1.46 0.063 0 CA-C-N 117.923 0.329 . . . . 0.0 110.247 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 39.8 mt -61.02 -47.73 92.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-N 118.717 0.689 . . . . 0.0 109.448 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -60.07 -54.45 45.77 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.264 0.626 . . . . 0.0 109.342 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -53.47 -35.65 60.77 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 121.598 -0.688 . . . . 0.0 110.934 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.4 -52.17 29.56 Favored 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 123.696 0.799 . . . . 0.0 109.623 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 24.4 mt -53.95 -46.13 71.48 Favored 'General case' 0 CA--C 1.52 -0.207 0 C-N-CA 124.304 1.042 . . . . 0.0 111.632 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 93.1 t -55.53 -56.84 9.86 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 124.1 0.96 . . . . 0.0 109.458 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 53.0 mt -64.43 -26.44 40.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 C-N-CA 123.905 0.882 . . . . 0.0 111.384 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.42 7.42 25.88 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.571 1.148 . . . . 0.0 111.267 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 19.0 m170 55.12 50.14 15.9 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.764 1.226 . . . . 0.0 109.951 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 54.5 52.7 11.89 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 125.984 1.714 . . . . 0.0 111.275 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -123.71 110.71 15.29 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.636 1.174 . . . . 0.0 108.528 178.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 4.1 tp -63.95 -42.94 97.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 C-N-CA 125.374 1.47 . . . . 0.0 112.186 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -68.38 -40.26 81.47 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 124.491 1.117 . . . . 0.0 111.048 -178.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 13.7 ttt -69.89 -46.27 65.82 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 106.776 -1.564 . . . . 0.0 106.776 178.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.57 -39.71 84.98 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.072 0.549 . . . . 0.0 110.672 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -55.71 -46.45 77.71 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.244 1.018 . . . . 0.0 108.753 178.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -57.82 -47.28 83.08 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 119.116 -0.468 . . . . 0.0 109.775 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 20.8 mt -57.46 -54.12 35.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 95.5 mt -60.93 -14.49 22.86 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.41 1.084 . . . . 0.0 112.63 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -95.16 -33.74 12.52 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 120.494 1.497 . . . . 0.0 110.178 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.585 ' HG3' HD11 ' A' ' 32' ' ' ILE . 68.8 mm-40 -89.72 -39.81 12.92 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 -179.288 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -92.9 -74.92 0.51 Allowed 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 124.334 1.054 . . . . 0.0 109.062 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 2.3 m -75.41 13.22 0.79 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.03 0.932 . . . . 0.0 112.684 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -123.7 164.79 16.72 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 109.576 -1.409 . . . . 0.0 109.576 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -77.33 -179.69 5.67 Favored 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 122.572 2.181 . . . . 0.0 111.679 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.7 t -125.01 104.22 8.44 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 125.577 1.551 . . . . 0.0 107.511 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.86 -22.29 8.59 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 126.027 1.731 . . . . 0.0 110.447 179.361 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 N-CA-C 105.253 -3.139 . . . . 0.0 105.253 179.75 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.106 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m -71.67 176.22 5.01 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 124.907 1.283 . . . . 0.0 114.127 -178.019 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 t -144.82 172.51 12.92 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.366 1.866 . . . . 0.0 109.413 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.33 110.61 3.34 Favored Glycine 0 C--N 1.337 0.59 0 C-N-CA 125.224 1.392 . . . . 0.0 109.638 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -146.19 103.53 3.73 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 104.561 -2.385 . . . . 0.0 104.561 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.3 m -54.93 146.32 17.94 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -178.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.68 -27.43 0.04 OUTLIER Glycine 0 CA--C 1.526 0.739 0 CA-C-O 117.954 -1.47 . . . . 0.0 115.033 179.318 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -150.53 83.13 1.36 Allowed 'General case' 0 C--N 1.343 0.322 0 CA-C-N 120.813 2.307 . . . . 0.0 113.71 -179.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 mp -57.03 -23.53 47.08 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.906 178.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.2 m -62.34 -43.27 99.22 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.362 0.665 . . . . 0.0 110.532 178.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.6 m -75.67 -26.54 57.73 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 118.664 -0.684 . . . . 0.0 110.056 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -65.0 -35.75 82.19 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.58 1.082 . . . . 0.0 108.359 178.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.1 mt -61.82 -41.22 89.86 Favored 'Isoleucine or valine' 0 C--N 1.34 0.172 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 178.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -64.01 -33.44 75.75 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -66.39 -34.76 78.68 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.74 1.154 . . . . 0.0 108.573 177.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.5 mt -69.41 -33.06 72.45 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 118.491 -0.766 . . . . 0.0 109.105 178.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 64.6 mtt -60.8 -35.37 76.3 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 177.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.0 m -66.4 4.95 0.64 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.661 1.584 . . . . 0.0 112.92 179.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -121.35 1.0 10.15 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 126.601 1.96 . . . . 0.0 110.037 178.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.28 -6.61 66.1 Favored Glycine 0 CA--C 1.526 0.737 0 C-N-CA 126.44 1.971 . . . . 0.0 116.078 178.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -70.98 127.41 32.49 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 119.857 1.828 . . . . 0.0 110.779 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.1 m -68.76 145.86 53.43 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.264 0.626 . . . . 0.0 109.347 179.033 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -55.42 -40.65 71.74 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.657 0.783 . . . . 0.0 113.053 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.4 mp0 -54.18 -47.02 72.5 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.463 1.105 . . . . 0.0 110.187 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -70.26 -47.31 61.83 Favored 'General case' 0 CA--C 1.519 -0.231 0 C-N-CA 126.375 1.87 . . . . 0.0 110.32 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.2 mt -53.92 -46.75 64.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -57.04 -49.85 74.55 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 117.733 -1.127 . . . . 0.0 110.359 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -51.57 -40.89 60.63 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 120.139 1.336 . . . . 0.0 110.861 179.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.03 -47.94 72.75 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-O 118.682 -0.675 . . . . 0.0 110.062 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.97 -44.99 91.61 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 119.145 0.884 . . . . 0.0 110.775 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.8 t -55.15 -55.94 13.8 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 C-N-CA 124.806 1.243 . . . . 0.0 109.769 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.4 mt -67.88 -27.36 37.49 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 123.46 0.704 . . . . 0.0 111.231 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.55 0.44 42.68 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 120.69 -1.256 . . . . 0.0 110.779 178.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 59.75 51.37 6.24 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.734 1.614 . . . . 0.0 108.391 -178.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m120 57.15 27.4 13.43 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 127.546 2.338 . . . . 0.0 113.028 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -95.97 103.89 15.8 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 106.822 -1.547 . . . . 0.0 106.822 178.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.0 tp -65.41 -37.7 80.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 O-C-N 121.61 -0.681 . . . . 0.0 112.645 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.71 -35.76 77.13 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.795 0.838 . . . . 0.0 110.714 -179.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 15.9 ttt -80.36 -47.35 14.6 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 127.792 2.437 . . . . 0.0 109.032 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.02 -37.75 72.15 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 121.586 -0.696 . . . . 0.0 110.897 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -56.73 -47.55 79.76 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 123.612 0.765 . . . . 0.0 109.36 178.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -60.11 -45.26 93.56 Favored 'General case' 0 CA--C 1.529 0.152 0 O-C-N 123.752 0.658 . . . . 0.0 109.806 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 67.4 mt -53.46 -57.45 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 123.562 0.745 . . . . 0.0 109.526 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.5 mt -59.17 -55.17 38.35 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.071 0.948 . . . . 0.0 111.677 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -58.01 -36.94 73.39 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 114.017 1.118 . . . . 0.0 114.017 -178.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -77.22 -72.9 0.32 Allowed 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 119.227 0.921 . . . . 0.0 109.722 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -61.55 -54.39 43.75 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 115.743 1.756 . . . . 0.0 115.743 -177.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.3 t -80.79 -11.03 59.67 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 -178.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.95 176.99 35.11 Favored Glycine 0 CA--C 1.529 0.922 0 CA-C-N 119.601 1.091 . . . . 0.0 110.557 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -65.46 120.84 8.11 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 122.34 2.027 . . . . 0.0 109.241 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.9 t -81.12 60.49 4.29 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.821 1.648 . . . . 0.0 107.142 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.4 t -136.47 158.97 43.19 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 126.17 1.788 . . . . 0.0 107.578 -178.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.227 0 N-CA-C 106.165 -2.774 . . . . 0.0 106.165 -179.22 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.812 0 N-CA-C 108.677 -1.769 . . . . 0.0 108.677 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -119.04 72.88 0.91 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.428 1.114 . . . . 0.0 111.993 -178.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.9 p -77.51 160.04 28.92 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 177.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.66 23.22 0.23 Allowed Glycine 0 CA--C 1.521 0.466 0 CA-C-O 118.977 -0.902 . . . . 0.0 112.979 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.42 154.24 36.23 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 178.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 74.1 m -130.97 151.86 50.92 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.7 -35.27 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.462 0 CA-C-O 117.765 -1.575 . . . . 0.0 113.606 -179.321 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -132.33 96.81 3.95 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 119.71 1.755 . . . . 0.0 110.607 -179.073 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 9.7 mp -61.63 -28.86 69.67 Favored 'General case' 0 N--CA 1.46 0.071 0 C-N-CA 125.34 1.456 . . . . 0.0 109.701 179.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 6.2 m -55.12 -35.95 65.21 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.95 1.3 . . . . 0.0 110.304 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 8.3 m -83.25 -12.8 56.4 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.132 0.973 . . . . 0.0 111.734 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -89.25 -33.37 17.0 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 124.481 1.112 . . . . 0.0 108.803 178.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 35.0 mt -59.65 -39.59 79.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -65.06 -35.15 80.25 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.807 -0.558 . . . . 0.0 110.546 178.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -61.33 -39.53 90.89 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 119.012 0.824 . . . . 0.0 108.918 179.146 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 12.2 mt -67.95 -33.7 75.16 Favored 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 64.0 mtt -61.72 -36.91 82.32 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 119.259 0.936 . . . . 0.0 108.604 177.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 4.8 m -56.84 -34.54 67.88 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.683 0.674 . . . . 0.0 110.645 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -71.43 -9.81 58.76 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.016 0.825 . . . . 0.0 112.076 178.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.29 -3.34 47.25 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 125.538 1.542 . . . . 0.0 114.9 178.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -71.33 162.83 28.79 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 119.645 1.722 . . . . 0.0 113.043 -179.213 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 7.8 m -88.01 154.07 20.78 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.768 1.227 . . . . 0.0 109.659 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -61.93 -45.53 93.29 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.979 0.912 . . . . 0.0 112.043 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 -53.49 -51.68 61.99 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 124.081 0.953 . . . . 0.0 110.347 -179.013 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ASP . . . . . 0.625 ' HA ' ' HE2' ' B' ' 28' ' ' LYS . 40.1 m-20 -55.66 -47.84 76.01 Favored 'General case' 0 CA--C 1.521 -0.158 0 C-N-CA 124.033 0.933 . . . . 0.0 109.789 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 57.7 mt -56.72 -50.34 74.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -58.33 -43.39 88.23 Favored 'General case' 0 C--N 1.34 0.158 0 CA-C-O 118.289 -0.863 . . . . 0.0 112.162 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.625 ' HE2' ' HA ' ' B' ' 25' ' ' ASP . 24.4 mtmt -57.29 -49.73 75.16 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 179.028 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.95 -41.53 99.54 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 117.919 -1.039 . . . . 0.0 111.478 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -59.25 -52.89 63.73 Favored 'General case' 0 C--N 1.341 0.22 0 CA-C-N 119.994 1.27 . . . . 0.0 111.174 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 8.8 p -61.09 -48.64 88.13 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 O-C-N 123.427 0.454 . . . . 0.0 110.776 -179.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 71.1 mt -60.66 -35.18 62.07 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-O 118.985 -0.531 . . . . 0.0 110.223 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.99 5.99 7.06 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.145 0.978 . . . . 0.0 112.439 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 19.0 m170 63.6 44.31 5.26 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.091 1.756 . . . . 0.0 109.003 -178.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 56.58 50.42 12.87 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 128.257 2.623 . . . . 0.0 111.064 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -121.28 103.26 8.85 Favored 'General case' 0 CA--C 1.521 -0.14 0 C-N-CA 125.402 1.481 . . . . 0.0 109.12 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 10.2 tp -57.68 -40.8 77.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 C-N-CA 124.035 0.934 . . . . 0.0 113.446 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -59.29 -53.43 58.38 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 124.012 0.925 . . . . 0.0 110.226 -178.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 13.3 ttt -64.39 -45.82 85.99 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 126.176 1.791 . . . . 0.0 109.678 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.94 -43.78 94.76 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.265 0.626 . . . . 0.0 111.07 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -55.16 -36.83 66.26 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.436 179.186 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -68.89 -43.04 76.09 Favored 'General case' 0 N--CA 1.454 -0.269 0 O-C-N 123.633 0.583 . . . . 0.0 109.56 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 68.2 mt -56.92 -49.48 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 39.5 mt -65.13 -5.92 7.85 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.207 1.403 . . . . 0.0 112.86 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -109.21 -34.67 6.51 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 117.504 -1.236 . . . . 0.0 113.614 -178.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -98.23 -8.4 27.42 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.288 0.949 . . . . 0.0 112.273 -179.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -123.84 -58.34 1.58 Allowed 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 123.809 0.844 . . . . 0.0 109.558 178.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 3.4 t -74.1 -21.19 60.0 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.51 179.44 34.59 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 125.353 1.454 . . . . 0.0 109.994 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -68.78 166.41 26.33 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.331 2.021 . . . . 0.0 110.746 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.03 65.74 1.57 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-O 122.761 1.267 . . . . 0.0 109.426 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 35.2 t -149.85 106.38 3.51 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.927 0 CA-C-O 117.476 -1.735 . . . . 0.0 109.599 179.545 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.914 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.8 m -134.35 164.93 26.3 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.261 1.424 . . . . 0.0 107.79 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.4 p -144.8 -71.69 0.27 Allowed 'General case' 0 C--O 1.236 0.359 0 O-C-N 120.963 -1.085 . . . . 0.0 111.423 -179.324 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.27 -173.16 24.49 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 125.433 1.492 . . . . 0.0 110.385 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.5 m -63.21 154.29 31.85 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.617 0.767 . . . . 0.0 110.027 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 m -75.12 -7.26 53.27 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 116.939 2.2 . . . . 0.0 116.939 -178.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.5 -34.71 1.95 Allowed Glycine 0 CA--C 1.525 0.701 0 CA-C-N 120.424 1.465 . . . . 0.0 114.578 178.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -133.42 120.39 20.85 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 118.705 1.253 . . . . 0.0 108.037 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 mp -55.42 -22.27 19.44 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 124.96 1.304 . . . . 0.0 113.993 -179.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.5 m -55.93 -38.07 69.79 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.94 0.896 . . . . 0.0 110.058 178.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.6 p -69.05 -37.52 78.59 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 121.808 -0.558 . . . . 0.0 110.539 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -65.98 -28.95 69.28 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.432 0.693 . . . . 0.0 109.596 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 78.5 mt -67.87 -49.76 66.03 Favored 'Isoleucine or valine' 0 C--N 1.338 0.099 0 N-CA-C 106.056 -1.831 . . . . 0.0 106.056 177.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -62.9 -28.01 69.76 Favored 'General case' 0 C--O 1.236 0.355 0 O-C-N 121.999 -0.438 . . . . 0.0 111.347 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -67.87 -44.51 76.91 Favored 'General case' 0 C--N 1.34 0.176 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 178.225 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.8 mt -65.63 -32.77 74.52 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-O 118.129 -0.938 . . . . 0.0 110.254 178.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 63.3 mtt -58.69 -45.96 88.32 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 106.591 -1.633 . . . . 0.0 106.591 177.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.9 t -62.82 -25.69 68.38 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.344 0.658 . . . . 0.0 111.614 179.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -71.86 -8.7 55.88 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 120.031 1.287 . . . . 0.0 109.542 177.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.75 11.13 25.44 Favored Glycine 0 CA--C 1.53 0.991 0 CA-C-O 117.83 -1.539 . . . . 0.0 116.149 178.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -95.08 167.2 11.53 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.367 1.583 . . . . 0.0 112.325 -179.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.2 m -95.23 151.93 18.81 Favored 'General case' 0 C--O 1.232 0.163 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 178.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -57.0 -39.57 74.92 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.303 0.641 . . . . 0.0 112.422 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -57.28 -51.65 68.53 Favored 'General case' 0 N--CA 1.461 0.112 0 C-N-CA 125.263 1.425 . . . . 0.0 111.904 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -59.22 -41.69 89.24 Favored 'General case' 0 CA--C 1.517 -0.295 0 C-N-CA 123.837 0.855 . . . . 0.0 109.119 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.0 mt -64.06 -50.02 78.94 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -58.99 -42.12 89.27 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 119.991 1.268 . . . . 0.0 110.95 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -63.81 -41.14 97.95 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 120.676 -1.265 . . . . 0.0 109.628 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.91 -38.37 86.1 Favored 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 121.544 -0.722 . . . . 0.0 110.313 179.062 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -55.85 29.65 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.364 1.066 . . . . 0.0 111.603 -179.197 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -58.17 -45.08 88.8 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 123.279 0.631 . . . . 0.0 111.864 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.444 HD11 ' HG3' ' B' ' 46' ' ' GLU . 74.1 mt -69.5 -25.39 28.83 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 CA-C-N 118.513 0.597 . . . . 0.0 110.995 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.5 15.53 12.18 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 120.968 -1.083 . . . . 0.0 111.514 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.4 m170 53.61 39.21 29.83 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.827 1.194 . . . . 0.0 110.011 -178.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.8 m120 62.77 13.21 6.27 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.273 1.829 . . . . 0.0 112.34 -178.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -78.29 101.42 7.15 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 104.016 -2.587 . . . . 0.0 104.016 177.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.411 HG13 ' HE3' ' A' ' 41' ' ' LYS . 7.6 tp -54.26 -41.79 53.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 124.656 1.182 . . . . 0.0 114.082 -178.414 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -69.55 -37.61 77.12 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 123.75 0.82 . . . . 0.0 111.348 -178.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 13.3 ttt -65.47 -47.57 75.62 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 178.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.04 -43.29 95.43 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.411 ' HE3' HG13 ' A' ' 37' ' ' ILE . 86.1 mttt -57.12 -43.62 82.52 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.588 0.755 . . . . 0.0 109.808 178.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -58.25 -43.88 88.04 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 118.864 -0.589 . . . . 0.0 110.174 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 17.6 mt -63.14 -49.84 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 88.9 mt -70.73 18.61 0.06 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.316 1.446 . . . . 0.0 113.906 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 39.6 ttp180 -140.59 -0.5 1.55 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.354 1.862 . . . . 0.0 110.504 178.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -131.08 -14.49 3.43 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.88 1.672 . . . . 0.0 111.76 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -123.26 -67.53 0.94 Allowed 'General case' 0 C--O 1.233 0.188 0 C-N-CA 126.008 1.723 . . . . 0.0 106.988 178.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.7 t -76.89 150.26 36.02 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 106.11 -1.811 . . . . 0.0 106.11 178.243 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -143.95 175.35 23.87 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -68.98 163.8 36.22 Favored 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 122.617 2.211 . . . . 0.0 112.322 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 m -153.56 148.47 26.58 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 125.95 1.7 . . . . 0.0 110.003 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.0 p -144.16 170.29 16.24 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 126.978 2.111 . . . . 0.0 107.648 179.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 117.489 -1.728 . . . . 0.0 109.05 -179.883 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.58 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 17.2 m -62.23 157.36 19.65 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 118.436 1.118 . . . . 0.0 109.433 178.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 31.6 p -149.89 0.47 0.47 Allowed 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 -179.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.45 -164.49 23.9 Favored Glycine 0 C--N 1.337 0.63 0 CA-C-N 119.335 0.97 . . . . 0.0 112.003 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 16.5 m -55.05 134.4 49.11 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 126.778 2.031 . . . . 0.0 114.03 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 72.4 m -67.76 -24.64 65.37 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 178.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.44 -59.55 0.4 Allowed Glycine 0 C--N 1.335 0.497 0 N-CA-C 108.362 -1.895 . . . . 0.0 108.362 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -133.57 142.1 48.0 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 124.511 1.125 . . . . 0.0 108.499 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 mp -55.71 -27.97 53.17 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 125.988 1.715 . . . . 0.0 112.706 -178.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.75 -43.73 69.4 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.989 0.813 . . . . 0.0 110.79 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 78.2 p -65.58 -36.55 84.07 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 117.971 0.35 . . . . 0.0 111.242 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -66.73 -32.28 73.47 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.635 -0.665 . . . . 0.0 111.639 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.31 -46.23 97.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -60.69 -33.77 73.36 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 123.163 0.585 . . . . 0.0 111.519 -179.261 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -68.24 -40.16 82.1 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 178.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 35.1 mt -65.42 -32.79 74.6 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 121.569 -0.707 . . . . 0.0 109.782 178.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 55.0 mtt -60.58 -32.05 71.16 Favored 'General case' 0 C--N 1.343 0.305 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 3.6 t -60.38 -49.09 78.95 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 125.649 1.579 . . . . 0.0 109.892 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -58.73 -33.24 70.0 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.038 0.535 . . . . 0.0 109.562 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 126.89 -2.77 7.42 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 125.221 1.391 . . . . 0.0 114.115 178.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -63.96 135.81 56.81 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 119.191 1.495 . . . . 0.0 110.386 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 17.7 m -74.4 147.24 42.28 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -56.86 -34.56 67.95 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.511 0.724 . . . . 0.0 110.107 179.307 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -57.09 -55.07 39.54 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.194 0.998 . . . . 0.0 109.396 178.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.49 -50.13 72.68 Favored 'General case' 0 CA--C 1.521 -0.154 0 C-N-CA 124.996 1.319 . . . . 0.0 109.817 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 31.0 mt -57.84 -49.31 81.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 119.515 -0.279 . . . . 0.0 110.55 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -63.92 -43.39 96.04 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 118.894 0.77 . . . . 0.0 112.485 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -63.67 -41.66 98.16 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.17 -46.15 88.49 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 25.4 mt -61.99 -45.14 94.92 Favored 'General case' 0 CA--C 1.522 -0.127 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 -178.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.05 -44.79 97.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 119.225 0.92 . . . . 0.0 110.489 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 69.0 mt -69.23 -35.95 70.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 C-N-CA 123.584 0.753 . . . . 0.0 109.077 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.05 12.56 0.68 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.094 0.958 . . . . 0.0 112.551 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 51.0 m170 53.43 50.05 18.26 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.639 1.576 . . . . 0.0 109.532 -179.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.9 t30 54.92 46.5 24.25 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 127.015 2.126 . . . . 0.0 112.971 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -119.69 107.96 13.87 Favored 'General case' 0 CA--C 1.522 -0.111 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 4.0 tp -63.74 -37.68 80.33 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.243 0 C-N-CA 124.078 0.951 . . . . 0.0 112.235 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -66.84 -49.74 64.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 119.307 0.958 . . . . 0.0 109.449 -178.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 14.6 ttt -59.24 -45.09 92.11 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 107.578 -1.268 . . . . 0.0 107.578 178.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.45 -43.69 98.42 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 178.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -58.16 -35.26 71.3 Favored 'General case' 0 C--N 1.34 0.194 0 CA-C-O 118.112 -0.947 . . . . 0.0 110.24 179.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -63.55 -41.71 98.43 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 118.762 0.71 . . . . 0.0 109.288 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 53.0 mt -62.22 -44.6 99.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 178.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 66.3 mt -76.56 25.46 0.14 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 127.054 2.141 . . . . 0.0 111.683 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 20.1 ttt85 -144.36 0.31 1.02 Allowed 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 125.895 1.678 . . . . 0.0 111.024 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.444 ' HG3' HD11 ' A' ' 32' ' ' ILE . 26.1 mm-40 -132.57 -59.96 0.9 Allowed 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 125.455 1.502 . . . . 0.0 107.093 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -79.19 -73.49 0.33 Allowed 'General case' 0 C--O 1.236 0.393 0 C-N-CA 123.772 0.829 . . . . 0.0 108.77 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.44 155.59 36.14 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 178.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -148.06 179.42 24.95 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 109.833 -1.307 . . . . 0.0 109.833 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -75.05 162.24 37.31 Favored 'Trans proline' 0 N--CA 1.446 -1.299 0 C-N-CA 122.313 2.008 . . . . 0.0 111.561 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 2.8 t -152.38 162.22 41.49 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 124.257 1.023 . . . . 0.0 109.144 178.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 4.9 p -155.35 179.13 9.46 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 127.436 2.294 . . . . 0.0 107.901 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 N-CA-C 107.672 -2.171 . . . . 0.0 107.672 -179.959 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.007 0 N-CA-C 110.412 -1.075 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 p -34.24 -63.96 0.26 Allowed 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 127.108 2.163 . . . . 0.0 113.517 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.4 p -99.75 -23.18 15.08 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.254 1.021 . . . . 0.0 112.588 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.63 111.2 1.07 Allowed Glycine 0 C--N 1.334 0.452 0 N-CA-C 107.392 -2.283 . . . . 0.0 107.392 -178.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -148.3 63.51 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -65.27 169.33 5.82 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.168 0.987 . . . . 0.0 109.778 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.64 -18.43 9.27 Favored Glycine 0 CA--C 1.521 0.435 0 C-N-CA 124.329 0.966 . . . . 0.0 113.418 179.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -81.63 139.55 34.93 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 118.851 1.326 . . . . 0.0 107.814 179.149 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.27 -17.1 21.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 119.421 -0.323 . . . . 0.0 111.247 179.44 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 m -57.8 -46.3 84.84 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.291 1.436 . . . . 0.0 110.461 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.1 p -58.71 -32.87 69.58 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.389 1.076 . . . . 0.0 112.325 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -71.71 -28.36 63.64 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 123.298 0.639 . . . . 0.0 110.837 -178.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.6 mt -64.9 -47.72 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 178.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -62.03 -35.57 79.0 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.707 0.803 . . . . 0.0 110.73 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.8 mtp85 -65.67 -34.7 78.82 Favored 'General case' 0 C--N 1.345 0.375 0 C-N-CA 119.045 -1.062 . . . . 0.0 108.641 178.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.1 mt -74.27 -35.64 63.77 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 118.793 0.724 . . . . 0.0 109.362 178.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 36.1 mtt -57.33 -41.9 80.85 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 119.162 0.892 . . . . 0.0 109.006 178.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.0 t -55.1 -35.18 64.34 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.89 1.676 . . . . 0.0 111.224 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -69.99 -22.66 63.12 Favored 'General case' 0 CA--C 1.529 0.148 0 O-C-N 121.35 -0.844 . . . . 0.0 112.601 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.21 12.7 14.84 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.959 1.266 . . . . 0.0 110.632 -178.186 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -79.4 140.17 37.49 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 118.821 1.31 . . . . 0.0 108.918 179.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.4 m -73.93 143.36 45.75 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 122.857 0.463 . . . . 0.0 110.002 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -54.11 -47.54 71.69 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 123.834 0.854 . . . . 0.0 111.627 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -55.22 -47.64 75.03 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.392 1.077 . . . . 0.0 112.298 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -59.38 -50.18 74.94 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 124.082 0.953 . . . . 0.0 108.665 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 27.9 mt -56.65 -46.47 82.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 43.5 mm-40 -58.12 -50.38 73.67 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.309 0.644 . . . . 0.0 110.84 179.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -57.7 -44.57 85.98 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 118.419 0.554 . . . . 0.0 110.336 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.0 -40.37 97.57 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 118.088 0.403 . . . . 0.0 110.806 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 30.7 mt -64.85 -50.98 64.49 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 -178.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.5 p -59.73 -50.38 80.23 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 O-C-N 123.644 0.59 . . . . 0.0 109.768 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.5 mt -62.91 -35.45 71.31 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 C-N-CA 123.965 0.906 . . . . 0.0 110.264 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.35 4.18 7.68 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.295 0.952 . . . . 0.0 112.631 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 13.7 m170 65.27 44.85 3.1 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.018 1.327 . . . . 0.0 109.517 -179.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.0 m120 62.24 23.82 14.13 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 126.088 1.755 . . . . 0.0 113.284 179.07 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -98.29 107.74 20.27 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 125.417 1.487 . . . . 0.0 107.422 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 8.6 tp -60.41 -44.42 96.09 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 -178.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -59.84 -54.37 46.97 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 124.044 0.937 . . . . 0.0 109.189 -178.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.4 ttt -56.64 -42.67 79.26 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.444 1.097 . . . . 0.0 109.231 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.7 -39.66 88.16 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.31 0.644 . . . . 0.0 110.899 178.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -59.85 -39.39 85.02 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 121.205 -0.934 . . . . 0.0 109.945 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -60.28 -49.17 78.68 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 179.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 63.1 mt -53.86 -50.37 52.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.8 mt -62.95 -23.71 67.54 Favored 'General case' 0 C--O 1.226 -0.147 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 -179.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -95.43 -42.17 8.61 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 120.255 1.389 . . . . 0.0 112.046 -179.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -73.92 -38.89 64.17 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 118.464 -0.779 . . . . 0.0 112.202 -178.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -99.33 -67.48 0.85 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 119.802 1.183 . . . . 0.0 111.428 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.4 t -73.34 -171.79 1.03 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.776 1.231 . . . . 0.0 108.894 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -170.29 159.39 31.79 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 107.673 -2.171 . . . . 0.0 107.673 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -72.78 134.19 21.47 Favored 'Trans proline' 0 N--CA 1.449 -1.107 0 N-CA-C 107.828 -1.643 . . . . 0.0 107.828 178.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.3 p -77.11 -0.05 23.39 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.262 0.625 . . . . 0.0 112.596 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 92.4 p -156.19 -159.69 0.92 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.071 1.748 . . . . 0.0 108.296 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.803 0 N-CA-C 107.957 -2.057 . . . . 0.0 107.957 178.957 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.7 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 4.8 p -53.75 -52.12 61.18 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.194 0.997 . . . . 0.0 110.106 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 10.0 p -101.3 -78.18 0.53 Allowed 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 178.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.49 129.93 2.48 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 108.678 -1.769 . . . . 0.0 108.678 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 15.3 m -156.35 120.96 4.56 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 117.787 0.793 . . . . 0.0 109.496 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 69.2 m -135.97 161.17 36.4 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 125.592 1.557 . . . . 0.0 107.778 178.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.04 17.23 16.75 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 -178.376 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -116.36 138.69 51.13 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 105.002 -2.221 . . . . 0.0 105.002 178.117 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 8.7 mp -105.55 -24.15 12.65 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 123.622 0.769 . . . . 0.0 112.329 -178.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 15.9 m -59.36 -43.48 92.81 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 124.18 0.992 . . . . 0.0 111.669 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 4.8 p -63.19 -23.07 67.26 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.223 1.009 . . . . 0.0 111.47 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -81.24 -25.83 36.33 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 124.732 1.213 . . . . 0.0 110.513 -178.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 61.6 mt -62.97 -45.45 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 178.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -60.78 -27.67 68.17 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.839 1.256 . . . . 0.0 111.018 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 52.2 mtp85 -77.32 -41.54 40.18 Favored 'General case' 0 C--N 1.34 0.183 0 O-C-N 121.287 -0.883 . . . . 0.0 108.823 178.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 7.1 mt -62.9 -37.15 85.81 Favored 'General case' 0 C--O 1.227 -0.095 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 178.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 40.3 mtt -57.98 -31.43 66.9 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 121.734 -0.604 . . . . 0.0 111.168 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 3.8 t -60.04 -20.5 58.29 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.382 1.073 . . . . 0.0 111.341 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -90.35 -9.21 48.57 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 119.574 1.079 . . . . 0.0 111.531 178.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.67 35.75 6.75 Favored Glycine 0 CA--C 1.529 0.95 0 CA-C-N 120.058 1.299 . . . . 0.0 111.803 -179.16 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -101.33 137.53 39.55 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 118.501 1.15 . . . . 0.0 110.068 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 67.3 m -67.61 148.68 51.08 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.371 0.605 . . . . 0.0 110.904 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -60.6 -38.99 86.49 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 123.846 0.858 . . . . 0.0 110.478 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -57.56 -57.98 10.29 Favored 'General case' 0 N--CA 1.452 -0.37 0 O-C-N 124.059 0.849 . . . . 0.0 109.489 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -51.97 -50.0 62.14 Favored 'General case' 0 C--N 1.334 -0.07 0 C-N-CA 124.775 1.23 . . . . 0.0 109.777 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 52.3 mt -56.24 -50.58 70.45 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 CA-C-O 118.652 -0.69 . . . . 0.0 110.163 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -60.21 -49.81 76.13 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.951 0.796 . . . . 0.0 110.665 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -54.56 -45.14 73.45 Favored 'General case' 0 N--CA 1.46 0.067 0 C-N-CA 124.522 1.129 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.6 -38.29 89.06 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 118.529 0.604 . . . . 0.0 110.433 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 18.5 mt -63.54 -54.27 38.79 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-O 118.572 -0.728 . . . . 0.0 111.733 -179.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 12.7 p -57.17 -42.72 80.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 118.548 0.613 . . . . 0.0 111.632 -178.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 84.5 mt -71.18 -27.81 30.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 O-C-N 121.914 -0.491 . . . . 0.0 110.385 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.8 11.6 15.07 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.017 -1.052 . . . . 0.0 111.121 178.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 56.7 40.68 29.07 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-O 122.377 1.084 . . . . 0.0 108.278 -177.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . 0.284 10.5 m-20 66.63 8.51 5.93 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 129.63 3.172 . . . . 0.0 113.523 -179.083 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -70.05 109.46 4.57 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 178.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 8.3 tp -63.38 -42.89 97.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 124.089 0.956 . . . . 0.0 112.056 -178.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -59.47 -50.09 75.28 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.207 1.003 . . . . 0.0 110.52 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 19.8 ttt -62.05 -49.22 76.85 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 125.576 1.55 . . . . 0.0 108.873 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.66 -43.08 80.02 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.677 0.791 . . . . 0.0 110.989 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 26.8 mttm -58.62 -39.42 80.41 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 118.711 -0.661 . . . . 0.0 111.019 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 46.3 m-20 -64.51 -40.5 95.76 Favored 'General case' 0 CA--C 1.528 0.112 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 68.6 mt -57.94 -48.32 84.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 178.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 40.9 mt -66.74 -7.42 20.93 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -109.83 -33.93 6.59 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 120.37 1.441 . . . . 0.0 111.328 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.58 -21.73 22.71 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 117.981 -1.009 . . . . 0.0 112.585 -178.365 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -114.56 -76.28 0.58 Allowed 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 119.545 1.066 . . . . 0.0 108.126 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 14.8 m -70.3 170.38 11.89 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 179.128 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -144.25 165.27 27.46 Favored Glycine 0 CA--C 1.529 0.916 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -76.22 123.7 7.37 Favored 'Trans proline' 0 N--CA 1.452 -0.954 0 C-N-CA 123.632 2.888 . . . . 0.0 108.387 178.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 11.6 p -77.8 -7.0 56.0 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.408 -0.807 . . . . 0.0 112.917 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 47.8 p -141.98 161.93 36.74 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 119.78 1.173 . . . . 0.0 112.205 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.927 0 CA-C-O 117.886 -1.508 . . . . 0.0 111.091 179.399 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.644 0 N-CA-C 108.636 -1.786 . . . . 0.0 108.636 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.3 p -138.0 174.47 10.53 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.244 1.017 . . . . 0.0 110.366 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -146.95 173.34 12.51 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 127.074 2.149 . . . . 0.0 107.824 178.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.64 -17.4 5.17 Favored Glycine 0 CA--C 1.53 1.027 0 C-N-CA 124.716 1.15 . . . . 0.0 110.313 178.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -171.82 145.5 1.93 Allowed 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 127.405 2.282 . . . . 0.0 106.166 179.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.9 m -150.76 176.18 11.29 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 126.027 1.731 . . . . 0.0 108.277 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.16 -89.16 0.54 Allowed Glycine 0 C--N 1.336 0.577 0 O-C-N 121.268 -0.895 . . . . 0.0 115.199 178.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -78.41 85.5 4.52 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 105.124 -2.176 . . . . 0.0 105.124 179.71 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.66 -30.16 30.27 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 126.488 1.915 . . . . 0.0 113.902 -178.329 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.5 m -54.91 -40.43 69.84 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 124.521 1.129 . . . . 0.0 111.088 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.8 m -67.91 -24.26 65.19 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.378 0.671 . . . . 0.0 112.289 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -80.79 -28.7 36.25 Favored 'General case' 0 N--CA 1.457 -0.104 0 O-C-N 121.674 -0.641 . . . . 0.0 110.747 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.7 mt -57.06 -47.5 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -61.99 -22.57 65.79 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 122.938 0.495 . . . . 0.0 112.006 -179.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 53.4 mtp180 -79.6 -32.6 41.91 Favored 'General case' 0 C--O 1.232 0.156 0 O-C-N 120.823 -1.173 . . . . 0.0 109.326 178.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.77 -39.0 87.7 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 177.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 58.9 mtt -54.06 -32.62 55.18 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 123.332 0.653 . . . . 0.0 112.61 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.8 m -60.99 -23.38 65.34 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.419 0.687 . . . . 0.0 111.013 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -94.99 5.12 52.84 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 126.003 1.721 . . . . 0.0 111.863 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.98 -9.01 73.23 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 124.729 1.157 . . . . 0.0 115.344 178.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -63.72 129.44 40.15 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 119.087 1.443 . . . . 0.0 109.375 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.6 m -78.39 165.45 23.79 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 108.677 -0.861 . . . . 0.0 108.677 178.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -57.92 -42.52 84.95 Favored 'General case' 0 N--CA 1.462 0.143 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -52.14 -47.87 65.18 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.869 0.868 . . . . 0.0 111.955 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -63.68 -52.54 60.19 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 125.316 1.446 . . . . 0.0 110.475 -179.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.419 ' HA ' HD11 ' A' ' 44' ' ' LEU . 35.9 mt -55.38 -49.47 72.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 124.179 0.991 . . . . 0.0 110.257 -178.214 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.401 ' O ' HG23 ' A' ' 31' ' ' VAL . 15.2 mm100 -61.25 -50.14 74.27 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 118.455 -0.783 . . . . 0.0 109.592 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -53.34 -43.08 67.39 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 120.197 1.362 . . . . 0.0 111.711 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.8 -46.19 83.07 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 123.02 0.528 . . . . 0.0 109.734 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 29.0 mt -59.81 -47.95 83.65 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 123.738 0.815 . . . . 0.0 110.546 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 27' ' ' GLN . 52.3 t -52.94 -56.69 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 125.259 1.424 . . . . 0.0 109.428 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.427 HD13 ' HA ' ' B' ' 43' ' ' ILE . 39.8 mt -64.87 -32.41 58.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 122.962 0.505 . . . . 0.0 111.589 -178.674 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.39 8.27 6.49 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 119.093 0.86 . . . . 0.0 111.559 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.2 m170 58.56 40.28 23.88 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.46 1.504 . . . . 0.0 108.484 -178.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.8 m120 69.92 10.58 7.51 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 129.077 2.951 . . . . 0.0 113.711 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -76.45 108.6 9.53 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 178.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 9.7 tp -61.46 -42.21 93.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 -178.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -61.79 -44.75 96.25 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 124.741 1.216 . . . . 0.0 109.633 -178.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 13.4 ttt -67.35 -46.67 72.71 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 125.146 1.378 . . . . 0.0 108.841 179.132 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.92 97.61 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.32 0.648 . . . . 0.0 110.519 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.9 mttm -59.12 -39.99 84.03 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -63.88 -41.6 97.7 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 118.959 0.799 . . . . 0.0 110.564 178.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 71.6 mt -57.69 -50.74 76.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-N 119.667 1.121 . . . . 0.0 108.187 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.419 HD11 ' HA ' ' A' ' 26' ' ' ILE . 65.2 mt -63.22 -30.54 71.66 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.471 0.708 . . . . 0.0 111.872 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -72.71 -39.5 66.93 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 118.897 0.772 . . . . 0.0 112.379 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -94.58 -31.25 13.96 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 116.593 2.072 . . . . 0.0 116.593 -177.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -97.25 -56.7 2.46 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 120.002 1.274 . . . . 0.0 109.813 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.5 t -81.96 -178.25 6.92 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 131.88 162.99 10.64 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 126.312 1.911 . . . . 0.0 109.059 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -64.68 100.85 0.35 Allowed 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 123.915 3.077 . . . . 0.0 110.112 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.1 t -144.62 37.72 1.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 126.106 1.763 . . . . 0.0 107.849 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.57 20.54 1.85 Allowed 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.285 -0.884 . . . . 0.0 111.93 -179.063 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.275 0 C-N-CA 126.641 2.067 . . . . 0.0 108.308 -179.507 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.685 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 58.0 p -155.22 172.95 17.33 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 126.863 2.065 . . . . 0.0 107.691 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.4 p -151.82 154.03 35.39 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 124.366 1.066 . . . . 0.0 108.736 178.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.06 -46.16 52.79 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 27.9 t -153.0 166.78 31.34 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 126.101 1.76 . . . . 0.0 107.185 179.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 46.0 m -141.84 149.47 40.34 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 126.469 1.908 . . . . 0.0 106.137 178.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.72 -153.24 23.75 Favored Glycine 0 C--N 1.33 0.202 0 CA-C-N 118.794 0.725 . . . . 0.0 111.587 -179.092 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.4 117.62 1.47 Allowed 'General case' 0 C--O 1.237 0.438 0 C-N-CA 126.919 2.087 . . . . 0.0 110.493 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 9.0 mp -56.01 -37.2 68.84 Favored 'General case' 0 N--CA 1.461 0.107 0 C-N-CA 123.402 0.681 . . . . 0.0 109.693 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 5.9 m -55.88 -17.62 6.87 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 125.078 1.351 . . . . 0.0 114.349 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 69.0 m -96.93 -24.73 15.7 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.767 1.167 . . . . 0.0 110.303 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -86.21 -31.5 21.7 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.249 1.019 . . . . 0.0 110.743 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.437 HG23 HG21 ' B' ' 26' ' ' ILE . 72.4 mt -58.95 -37.82 69.68 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 N-CA-C 107.086 -1.45 . . . . 0.0 107.086 178.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -64.57 -39.9 94.58 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 121.168 -0.958 . . . . 0.0 109.975 178.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 50.7 mtp180 -64.85 -25.92 68.11 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 121.324 -0.86 . . . . 0.0 109.408 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 20.9 mt -81.54 -43.82 18.21 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.346 1.058 . . . . 0.0 108.862 178.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 28.1 mtt -54.22 -42.5 69.89 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 119.748 1.158 . . . . 0.0 110.595 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 58.2 m -64.89 -2.68 2.75 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 179.428 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -104.65 0.56 28.61 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 125.734 1.614 . . . . 0.0 111.085 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.54 -5.66 54.81 Favored Glycine 0 C--N 1.335 0.475 0 CA-C-O 119.046 -0.864 . . . . 0.0 113.257 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -75.52 163.28 27.54 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 178.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 42.8 m -125.13 156.73 37.88 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 123.649 0.779 . . . . 0.0 110.091 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -51.9 -35.09 44.18 Favored 'General case' 0 CA--C 1.529 0.16 0 O-C-N 121.656 -0.653 . . . . 0.0 112.22 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -59.66 -57.58 12.33 Favored 'General case' 0 C--O 1.236 0.381 0 O-C-N 121.794 -0.566 . . . . 0.0 111.352 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -67.47 -41.38 84.72 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.769 0.828 . . . . 0.0 110.454 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.437 HG21 HG23 ' B' ' 13' ' ' ILE . 80.6 mt -54.58 -53.88 27.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 C-N-CA 123.894 0.878 . . . . 0.0 108.705 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -62.59 -48.91 77.37 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.841 179.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -53.33 -36.79 61.68 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 120.673 1.579 . . . . 0.0 111.709 -179.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.73 -49.22 55.31 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 14.2 mt -54.94 -49.39 71.46 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 124.067 0.947 . . . . 0.0 111.221 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 86.3 t -58.5 -48.22 86.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 124.555 1.142 . . . . 0.0 110.231 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 65.3 mt -69.47 -26.11 30.49 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 O-C-N 121.276 -0.89 . . . . 0.0 110.442 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.84 9.18 19.95 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.591 1.557 . . . . 0.0 111.557 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 32.5 m170 55.67 48.97 17.35 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.331 1.052 . . . . 0.0 109.355 -178.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 62.19 10.53 3.83 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 128.103 2.561 . . . . 0.0 114.008 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -78.54 102.61 8.0 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 107.324 -1.362 . . . . 0.0 107.324 178.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 7.2 tp -59.98 -39.03 79.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -179.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -65.79 -40.73 92.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.859 0.838 . . . . 0.0 111.045 -178.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 22.1 ttt -68.94 -47.02 66.74 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 179.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.88 -40.31 84.01 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.941 0.896 . . . . 0.0 110.943 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 27.8 mttm -60.95 -38.56 86.29 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 123.614 0.766 . . . . 0.0 109.677 178.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -66.23 -39.49 89.61 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 118.407 -0.806 . . . . 0.0 108.835 178.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.427 ' HA ' HD13 ' A' ' 32' ' ' ILE . 72.3 mt -55.33 -54.1 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 179.126 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 96.3 mt -60.53 -45.12 95.03 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 123.81 0.844 . . . . 0.0 111.718 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 14.7 ttm-85 -66.72 -29.43 69.42 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 120.546 1.521 . . . . 0.0 113.434 -179.307 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.407 ' HB2' HD11 ' A' ' 32' ' ' ILE . 20.1 mm-40 -90.3 -37.01 14.36 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 119.65 1.114 . . . . 0.0 113.81 -179.01 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -97.77 -67.71 0.83 Allowed 'General case' 0 C--O 1.233 0.227 0 CA-C-N 119.183 0.902 . . . . 0.0 109.682 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 20.6 t -63.86 -178.79 0.34 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.522 1.529 . . . . 0.0 110.613 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 139.48 172.67 12.78 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 125.188 1.375 . . . . 0.0 111.59 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -74.83 91.22 1.02 Allowed 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 123.3 2.667 . . . . 0.0 108.36 179.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 75.1 m -126.21 27.19 6.31 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.929 1.692 . . . . 0.0 110.038 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 7.4 t -156.78 78.06 0.91 Allowed 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 106.665 -1.606 . . . . 0.0 106.665 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.92 0 C-N-CA 125.255 1.407 . . . . 0.0 110.01 -179.366 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.804 0 N-CA-C 108.893 -1.683 . . . . 0.0 108.893 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 m -80.13 113.34 18.24 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 178.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.01 95.98 0.41 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.11 -53.31 3.96 Favored Glycine 0 C--N 1.335 0.528 0 C-N-CA 123.773 0.701 . . . . 0.0 111.641 -179.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.3 p -129.93 159.75 35.7 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.628 0.728 . . . . 0.0 111.226 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.0 m -112.7 23.97 12.93 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 126.901 2.08 . . . . 0.0 110.219 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.67 -8.88 10.57 Favored Glycine 0 CA--C 1.528 0.846 0 C-N-CA 125.059 1.314 . . . . 0.0 112.854 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -65.09 156.42 31.6 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-N 119.154 1.477 . . . . 0.0 109.623 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 mp -132.27 -8.55 3.36 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.53 1.532 . . . . 0.0 110.279 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.4 p -58.23 -47.95 81.91 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 120.447 1.476 . . . . 0.0 109.61 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.59 -24.85 61.81 Favored 'General case' 0 N--CA 1.439 -0.979 0 C-N-CA 129.362 3.065 . . . . 0.0 111.548 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.33 -29.76 26.05 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.612 1.165 . . . . 0.0 110.621 -179.404 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 53.8 mt -64.72 -52.83 49.46 Favored 'Isoleucine or valine' 0 C--N 1.341 0.236 0 N-CA-C 105.92 -1.881 . . . . 0.0 105.92 178.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -58.8 -35.15 72.37 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.669 0.787 . . . . 0.0 109.66 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -67.43 -39.36 85.43 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 119.137 0.88 . . . . 0.0 110.095 178.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.4 mt -67.61 -33.17 74.45 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 118.491 -0.766 . . . . 0.0 110.653 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.0 mtt -59.61 -33.45 71.5 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 119.042 0.837 . . . . 0.0 111.037 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.9 m -60.91 -24.86 66.32 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.221 0.608 . . . . 0.0 111.832 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -78.57 -20.19 51.11 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.45 -0.781 . . . . 0.0 111.427 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.02 -0.37 27.04 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 125.094 1.33 . . . . 0.0 111.344 -178.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -70.01 127.13 31.77 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 118.675 1.237 . . . . 0.0 108.245 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.3 m -66.99 148.07 52.43 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 122.675 0.39 . . . . 0.0 110.594 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -54.16 -42.7 69.89 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.496 0.718 . . . . 0.0 111.61 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -60.03 -45.26 93.39 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-O 119.14 -0.457 . . . . 0.0 110.814 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -59.2 -50.96 72.01 Favored 'General case' 0 CA--C 1.522 -0.107 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 41.1 mt -57.06 -47.91 82.8 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -58.4 -56.26 24.45 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 118.643 -0.694 . . . . 0.0 109.951 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.5 mtpp -53.3 -45.56 69.01 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 125.043 1.337 . . . . 0.0 110.785 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.18 -44.35 95.13 Favored 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 123.675 0.79 . . . . 0.0 110.27 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 54.1 mt -64.83 -36.02 82.99 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 118.631 -0.699 . . . . 0.0 112.595 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.8 t -63.57 -58.01 9.29 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 179.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 59.1 mt -59.28 -38.41 74.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 125.568 1.547 . . . . 0.0 111.28 -178.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.12 0.7 15.33 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 118.831 0.742 . . . . 0.0 112.193 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 51.8 m170 56.24 57.56 4.9 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 125.342 1.457 . . . . 0.0 109.495 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.2 m120 59.23 18.73 6.83 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 126.631 1.972 . . . . 0.0 113.769 179.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -96.07 101.13 12.75 Favored 'General case' 0 C--O 1.231 0.104 0 O-C-N 121.066 -1.021 . . . . 0.0 108.89 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.8 tp -60.5 -39.18 80.41 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.331 0 C-N-CA 123.337 0.655 . . . . 0.0 111.357 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -64.05 -37.92 89.2 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 119.227 0.922 . . . . 0.0 110.501 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 8.9 ttt -72.85 -49.6 29.18 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 178.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.85 -36.91 75.37 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.831 0.853 . . . . 0.0 111.148 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 43.5 mttt -57.17 -48.36 78.93 Favored 'General case' 0 CA--C 1.517 -0.3 0 C-N-CA 124.741 1.216 . . . . 0.0 108.058 178.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -59.17 -42.65 91.28 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-O 118.922 -0.561 . . . . 0.0 109.713 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 58.1 mt -57.51 -54.51 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 118.88 0.764 . . . . 0.0 109.154 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.4 mt -58.44 -44.8 89.31 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 122.767 0.427 . . . . 0.0 110.679 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -63.76 -19.03 64.65 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 126.15 1.78 . . . . 0.0 112.556 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -112.26 -27.38 8.35 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 114.946 1.462 . . . . 0.0 114.946 -178.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -109.96 -61.61 1.63 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.077 1.351 . . . . 0.0 113.285 -179.09 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.5 m -70.15 12.63 0.21 Allowed 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 -178.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -142.62 -158.62 7.61 Favored Glycine 0 CA--C 1.532 1.155 0 C-N-CA 125.651 1.596 . . . . 0.0 110.628 -179.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -71.44 -178.92 3.24 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 123.514 2.809 . . . . 0.0 111.875 -179.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.3 t -117.18 9.44 13.52 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.077 1.351 . . . . 0.0 110.62 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.0 p -138.87 101.86 4.41 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 124.773 1.229 . . . . 0.0 109.157 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.207 0 N-CA-C 107.55 -2.22 . . . . 0.0 107.55 -179.502 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.653 0 N-CA-C 107.625 -2.19 . . . . 0.0 107.625 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 16.6 m -126.06 93.7 3.89 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 105.45 -2.056 . . . . 0.0 105.45 179.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 15.6 m -69.97 173.14 6.78 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.798 0.839 . . . . 0.0 110.947 -179.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.44 -66.32 0.07 OUTLIER Glycine 0 CA--C 1.519 0.299 0 N-CA-C 107.552 -2.219 . . . . 0.0 107.552 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 1.6 p -70.28 86.6 0.59 Allowed 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.435 1.494 . . . . 0.0 109.783 179.106 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 15.4 m -81.42 56.5 2.95 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 122.189 0.995 . . . . 0.0 110.459 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.23 79.15 0.08 OUTLIER Glycine 0 N--CA 1.443 -0.843 0 N-CA-C 105.223 -3.151 . . . . 0.0 105.223 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -140.18 158.11 44.56 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 125.229 1.412 . . . . 0.0 108.502 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 mp -119.63 -18.75 8.31 Favored 'General case' 0 C--O 1.226 -0.139 0 C-N-CA 124.883 1.273 . . . . 0.0 111.729 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 1.2 p -51.57 -60.39 3.21 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 126.164 1.786 . . . . 0.0 111.096 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.16 -35.2 78.07 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 125.057 1.343 . . . . 0.0 111.022 179.51 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -34.01 77.35 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 117.725 -1.131 . . . . 0.0 111.17 -178.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 39.4 mt -63.28 -46.29 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 N-CA-C 107.028 -1.471 . . . . 0.0 107.028 178.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -59.68 -35.73 75.05 Favored 'General case' 0 C--O 1.24 0.574 0 C-N-CA 123.911 0.884 . . . . 0.0 110.893 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 -68.14 -34.11 75.74 Favored 'General case' 0 N--CA 1.456 -0.161 0 O-C-N 121.681 -0.637 . . . . 0.0 109.726 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.428 HD21 ' HE2' ' B' ' 41' ' ' LYS . 42.8 mt -78.31 -37.25 45.11 Favored 'General case' 0 CA--C 1.523 -0.069 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 178.669 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 37.5 mtt -56.4 -39.98 73.89 Favored 'General case' 0 C--N 1.337 0.065 0 CA-C-N 119.006 0.821 . . . . 0.0 109.526 178.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 56.6 m -61.33 -18.52 58.99 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.434 0.902 . . . . 0.0 113.434 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -81.95 -32.65 30.66 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 119.591 1.087 . . . . 0.0 109.096 178.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.36 -0.16 6.4 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 125.657 1.599 . . . . 0.0 112.83 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -70.69 125.25 26.29 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 118.779 1.289 . . . . 0.0 107.702 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.7 m -65.9 156.71 32.63 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 122.956 0.502 . . . . 0.0 111.183 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -53.04 -49.0 67.19 Favored 'General case' 0 N--CA 1.458 -0.049 0 C-N-CA 123.756 0.822 . . . . 0.0 111.366 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -57.94 -45.11 87.1 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 123.527 0.731 . . . . 0.0 111.657 -179.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -64.52 -45.9 85.21 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 54.1 mt -57.63 -55.55 20.68 Favored 'Isoleucine or valine' 0 C--N 1.341 0.237 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' GLN . . . . . 0.402 ' O ' HG23 ' B' ' 31' ' ' VAL . 14.1 mm-40 -51.9 -53.96 34.84 Favored 'General case' 0 C--O 1.219 -0.505 0 C-N-CA 124.833 1.253 . . . . 0.0 110.82 179.227 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -54.68 -41.58 70.37 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 120.353 1.433 . . . . 0.0 110.143 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.25 -42.74 93.0 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 178.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 50.7 mt -67.88 2.19 2.15 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.105 1.362 . . . . 0.0 113.198 178.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 27' ' ' GLN . 89.4 t -112.91 -18.67 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 126.454 1.902 . . . . 0.0 110.447 177.249 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 36.1 mt -102.86 -33.95 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 O-C-N 121.071 -1.018 . . . . 0.0 113.3 -178.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.467 ' HB1' ' HB3' ' B' ' 39' ' ' MET . . . -83.89 11.4 7.73 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.801 1.641 . . . . 0.0 111.922 179.583 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 9.3 m170 52.07 50.91 17.49 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.957 1.703 . . . . 0.0 110.784 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 5.9 m120 59.69 11.38 2.4 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 130.058 3.343 . . . . 0.0 112.015 -179.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -76.82 97.59 4.58 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 106.168 -1.79 . . . . 0.0 106.168 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 5.6 tp -53.68 -42.05 49.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 124.332 1.053 . . . . 0.0 111.186 -178.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -62.8 -39.84 95.51 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 121.351 -0.843 . . . . 0.0 112.285 -178.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' MET . . . . . 0.467 ' HB3' ' HB1' ' B' ' 33' ' ' ALA . 6.5 ttt -70.76 -46.02 63.71 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 179.548 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.85 -39.51 85.44 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.288 0.494 . . . . 0.0 110.95 179.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.428 ' HE2' HD21 ' B' ' 16' ' ' LEU . 80.2 mttt -55.95 -43.49 77.51 Favored 'General case' 0 N--CA 1.461 0.109 0 C-N-CA 124.268 1.027 . . . . 0.0 109.065 178.62 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -65.03 -39.21 93.03 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 118.665 -0.683 . . . . 0.0 110.499 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 49.9 mt -59.82 -60.87 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 CA-C-N 119.193 0.906 . . . . 0.0 108.845 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 62.5 mt -51.7 -47.85 63.77 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.426 1.491 . . . . 0.0 112.041 -178.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -58.87 -25.17 63.08 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -103.7 -55.85 2.31 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 118.872 0.76 . . . . 0.0 111.207 -179.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -74.09 -21.17 60.02 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 -178.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -122.24 17.73 10.69 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.931 1.692 . . . . 0.0 109.286 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -133.74 177.77 18.81 Favored Glycine 0 CA--C 1.527 0.837 0 C-N-CA 125.594 1.569 . . . . 0.0 109.947 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -76.03 172.82 15.57 Favored 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 122.935 2.423 . . . . 0.0 110.025 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 67.6 m -83.95 -62.93 1.44 Allowed 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 105.296 -2.113 . . . . 0.0 105.296 177.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 11.9 p -61.62 120.13 10.0 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.277 0 N-CA-C 109.179 -1.568 . . . . 0.0 109.179 -179.729 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.776 0 CA-C-O 121.799 0.666 . . . . 0.0 112.972 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.6 p -163.57 173.2 13.32 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 125.694 1.598 . . . . 0.0 107.712 178.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 p -72.1 84.41 1.01 Allowed 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.83 117.2 4.36 Favored Glycine 0 C--N 1.33 0.237 0 N-CA-C 108.152 -1.979 . . . . 0.0 108.152 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -107.82 178.56 4.49 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 118.361 1.08 . . . . 0.0 108.804 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.1 p -147.3 168.36 21.95 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -178.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.28 2.1 77.7 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 118.001 1.96 . . . . 0.0 118.001 178.148 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -145.78 89.77 1.93 Allowed 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 121.462 2.631 . . . . 0.0 108.252 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.78 -20.04 65.16 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -178.639 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.0 p -60.76 -27.57 68.06 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.873 1.215 . . . . 0.0 111.17 178.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.6 m -76.52 -25.7 54.44 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.291 0.636 . . . . 0.0 110.313 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -80.49 -26.82 37.99 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 123.756 0.823 . . . . 0.0 111.21 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.6 mt -57.96 -41.36 80.01 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 178.135 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -57.58 -41.03 80.3 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 125.294 1.438 . . . . 0.0 111.471 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -68.55 -37.89 80.33 Favored 'General case' 0 C--N 1.341 0.215 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.0 mt -68.04 -35.57 78.48 Favored 'General case' 0 C--O 1.228 -0.056 0 C-N-CA 123.825 0.85 . . . . 0.0 110.804 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 46.9 mtt -57.54 -46.13 84.24 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.931 0.787 . . . . 0.0 108.891 178.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.0 t -58.81 -39.11 80.2 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 122.908 0.483 . . . . 0.0 109.807 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -64.85 -8.13 14.04 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.171 -0.956 . . . . 0.0 112.323 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.97 3.33 59.15 Favored Glycine 0 C--N 1.335 0.479 0 CA-C-O 117.516 -1.714 . . . . 0.0 114.38 178.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -78.85 145.92 33.96 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 120.525 2.162 . . . . 0.0 107.439 179.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.7 m -73.87 154.44 39.44 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 121.495 -0.753 . . . . 0.0 110.671 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -60.15 -43.31 95.85 Favored 'General case' 0 C--O 1.232 0.135 0 O-C-N 122.247 -0.283 . . . . 0.0 111.297 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -58.73 -52.58 65.11 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.34 -54.67 37.22 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.957 1.303 . . . . 0.0 109.03 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 70.1 mt -50.58 -50.93 20.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 124.015 0.926 . . . . 0.0 110.781 -179.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -65.38 -50.65 64.71 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.738 0.415 . . . . 0.0 111.142 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -55.44 -34.29 64.35 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 120.969 -1.082 . . . . 0.0 110.718 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.05 -48.74 77.4 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 178.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 79.1 mt -58.62 -46.45 87.02 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.683 0.793 . . . . 0.0 110.809 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.3 t -52.85 -47.32 52.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 124.27 1.028 . . . . 0.0 110.872 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.1 mt -79.98 -23.45 11.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 C-N-CA 124.065 0.946 . . . . 0.0 111.537 -178.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.12 10.23 22.6 Favored 'General case' 0 N--CA 1.448 -0.553 0 O-C-N 121.061 -1.024 . . . . 0.0 110.848 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 17.2 m170 52.84 46.95 25.74 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.476 1.111 . . . . 0.0 109.212 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 67.06 5.29 4.02 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 128.393 2.677 . . . . 0.0 113.816 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -73.41 103.79 4.19 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 119.315 0.961 . . . . 0.0 109.71 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.8 tp -61.44 -38.69 80.63 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.242 0 C-N-CA 123.642 0.777 . . . . 0.0 112.515 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -67.11 -42.84 83.84 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 123.857 0.863 . . . . 0.0 111.231 -178.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 9.9 ttt -64.84 -50.6 66.03 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 106.689 -1.597 . . . . 0.0 106.689 178.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.3 -41.14 79.29 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.227 1.011 . . . . 0.0 111.256 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.4 mttm -57.33 -41.49 80.08 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 123.849 0.86 . . . . 0.0 109.73 178.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -64.97 -42.66 94.38 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.128 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 58.8 mt -57.92 -55.75 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.4 mt -56.84 -36.14 69.64 Favored 'General case' 0 C--O 1.226 -0.183 0 C-N-CA 123.53 0.732 . . . . 0.0 112.516 -179.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -74.92 -29.26 60.92 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -102.42 -23.95 13.89 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 -178.254 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -102.49 -69.85 0.77 Allowed 'General case' 0 C--O 1.235 0.301 0 C-N-CA 124.497 1.119 . . . . 0.0 108.68 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.2 m -69.51 -177.79 1.27 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.626 0.771 . . . . 0.0 109.028 178.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -150.2 169.85 30.2 Favored Glycine 0 CA--C 1.525 0.695 0 O-C-N 120.638 -1.289 . . . . 0.0 111.721 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -73.97 98.93 1.12 Allowed 'Trans proline' 0 N--CA 1.45 -1.067 0 C-N-CA 122.81 2.34 . . . . 0.0 109.602 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 90.6 p -58.35 -30.46 66.77 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.388 -0.82 . . . . 0.0 110.248 179.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.7 p -138.32 156.84 47.26 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 127.636 2.374 . . . . 0.0 106.762 178.439 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.766 0 N-CA-C 106.129 -2.788 . . . . 0.0 106.129 179.445 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.531 0 N-CA-C 109.702 -1.359 . . . . 0.0 109.702 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 11.8 p -163.04 177.81 8.85 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 124.852 1.261 . . . . 0.0 108.9 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.1 113.85 5.39 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 179.202 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.02 169.71 25.58 Favored Glycine 0 CA--C 1.52 0.403 0 N-CA-C 109.951 -1.26 . . . . 0.0 109.951 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 55.1 m -144.93 172.07 13.56 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 124.298 1.039 . . . . 0.0 110.866 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 25.1 p -129.81 138.47 51.04 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 126.407 1.883 . . . . 0.0 106.077 178.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.11 -20.12 5.68 Favored Glycine 0 CA--C 1.526 0.733 0 CA-C-O 119.495 -0.614 . . . . 0.0 114.247 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -143.44 138.05 29.03 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 118.308 1.054 . . . . 0.0 108.473 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.445 HD23 HD22 ' B' ' 30' ' ' LEU . 2.7 mp -102.52 -21.73 14.15 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 117.61 -1.186 . . . . 0.0 114.196 -179.224 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 13.8 p -56.65 -39.46 73.75 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 120.156 1.343 . . . . 0.0 111.028 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -54.85 -32.21 60.42 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.762 1.625 . . . . 0.0 112.351 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -85.69 -24.92 26.8 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 121.507 -0.746 . . . . 0.0 110.093 179.237 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 42.3 mt -65.31 -42.27 93.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 N-CA-C 105.896 -1.891 . . . . 0.0 105.896 178.003 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -58.57 -36.14 73.48 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.481 0.712 . . . . 0.0 110.104 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -72.34 -40.93 67.01 Favored 'General case' 0 C--N 1.34 0.164 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 68.5 mt -65.88 -36.43 83.39 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.566 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 53.2 mtt -60.87 -39.14 88.07 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 177.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.89 -38.08 81.24 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.9 0.88 . . . . 0.0 109.573 178.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -69.95 -6.41 32.91 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.957 0.799 . . . . 0.0 111.255 178.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.34 -4.69 67.27 Favored Glycine 0 CA--C 1.522 0.482 0 C-N-CA 125.646 1.594 . . . . 0.0 114.645 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -61.9 145.28 53.27 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 118.96 1.38 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 64.0 m -78.23 144.64 36.05 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 178.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -55.84 -40.82 73.36 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 124.652 1.181 . . . . 0.0 110.963 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -60.04 -54.57 44.42 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -57.94 -42.95 85.95 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 119.124 0.875 . . . . 0.0 110.386 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 64.1 mt -59.0 -54.44 34.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-N 118.983 0.811 . . . . 0.0 109.418 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -62.2 -49.55 75.32 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.77 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -53.81 -39.35 65.44 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 120.634 1.561 . . . . 0.0 110.077 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.14 -50.52 63.71 Favored 'General case' 0 C--O 1.223 -0.331 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.445 HD22 HD23 ' B' ' 9' ' ' LEU . 41.1 mt -60.51 -28.7 68.59 Favored 'General case' 0 C--O 1.231 0.084 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 179.633 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 43.2 t -70.97 -58.35 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 179.135 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 47.7 mt -64.28 -29.65 47.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 124.433 1.093 . . . . 0.0 110.93 -178.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.0 1.48 23.75 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.221 -0.924 . . . . 0.0 110.612 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 22.9 m170 56.36 59.35 3.69 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 126.731 2.012 . . . . 0.0 108.775 -179.119 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 14.9 m120 59.49 16.35 5.18 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.482 1.913 . . . . 0.0 113.56 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -93.25 103.68 15.92 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 120.532 -1.355 . . . . 0.0 108.704 179.212 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 6.1 tp -63.37 -37.95 80.87 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.253 0 C-N-CA 124.411 1.084 . . . . 0.0 112.546 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -65.95 -45.75 80.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 119.016 0.826 . . . . 0.0 109.999 -178.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 12.1 ttt -64.28 -47.62 78.82 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 125.269 1.428 . . . . 0.0 107.17 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.74 -41.78 96.04 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.751 -0.593 . . . . 0.0 110.938 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -57.36 -35.06 69.46 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 123.698 0.799 . . . . 0.0 109.547 178.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -69.71 -41.13 75.76 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-O 118.406 -0.806 . . . . 0.0 109.588 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 51.7 mt -59.47 -48.58 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 N-CA-C 105.722 -1.955 . . . . 0.0 105.722 178.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 96.7 mt -66.87 2.37 1.45 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.392 1.077 . . . . 0.0 112.728 178.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 20.7 ttt85 -121.03 -2.52 9.68 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 120.079 1.309 . . . . 0.0 112.389 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -137.99 4.39 2.5 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.984 1.314 . . . . 0.0 111.739 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -134.75 -69.3 0.52 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.69 1.596 . . . . 0.0 109.784 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 72.8 m -73.96 -119.49 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.429 1.092 . . . . 0.0 108.59 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 130.9 168.91 12.33 Favored Glycine 0 CA--C 1.524 0.599 0 O-C-N 120.087 -1.633 . . . . 0.0 110.583 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -68.99 166.38 26.83 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 122.75 2.3 . . . . 0.0 108.138 178.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 84.7 p -126.69 -20.7 4.25 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 81.0 p -138.56 -155.59 0.61 Allowed 'General case' 0 C--O 1.242 0.687 0 C-N-CA 124.429 1.092 . . . . 0.0 110.142 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 N-CA-C 106.467 -2.653 . . . . 0.0 106.467 -178.97 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.74 0 N-CA-C 111.766 -0.533 . . . . 0.0 111.766 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 t -159.12 159.3 34.34 Favored 'General case' 0 C--O 1.24 0.567 0 C-N-CA 123.744 0.818 . . . . 0.0 109.832 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.3 p -169.71 149.43 3.82 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 126.082 1.753 . . . . 0.0 108.66 177.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.89 98.97 0.2 Allowed Glycine 0 CA--C 1.52 0.355 0 N-CA-C 108.54 -1.824 . . . . 0.0 108.54 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 m -77.59 143.61 38.16 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.689 0.796 . . . . 0.0 112.454 -179.276 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 p -164.47 165.34 21.46 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.342 1.457 . . . . 0.0 109.41 179.038 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.74 -154.02 46.46 Favored Glycine 0 CA--C 1.526 0.744 0 O-C-N 120.841 -1.162 . . . . 0.0 112.597 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -94.12 117.26 29.86 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 124.512 1.125 . . . . 0.0 109.466 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.5 tt -52.6 -35.42 54.32 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.213 1.005 . . . . 0.0 112.958 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 72.4 m -54.3 -22.89 13.12 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.994 1.27 . . . . 0.0 113.129 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.1 m -71.67 -32.35 67.77 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.761 1.224 . . . . 0.0 110.726 179.12 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -71.56 -29.3 64.58 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.137 1.375 . . . . 0.0 110.47 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.498 HG23 HG21 ' A' ' 26' ' ' ILE . 43.0 mt -59.88 -45.25 95.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 178.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -63.41 -34.14 77.09 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.094 0.958 . . . . 0.0 110.509 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -72.1 -31.7 66.3 Favored 'General case' 0 C--N 1.346 0.418 0 CA-C-N 118.664 0.665 . . . . 0.0 109.439 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.3 mt -71.32 -39.26 71.5 Favored 'General case' 0 C--O 1.227 -0.099 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 178.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.7 mtt -56.07 -34.59 66.1 Favored 'General case' 0 CA--C 1.53 0.2 0 O-C-N 121.953 -0.467 . . . . 0.0 111.673 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.1 m -68.82 -12.25 61.32 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -99.54 -1.18 38.97 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.52 1.528 . . . . 0.0 112.285 -178.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.5 14.17 35.98 Favored Glycine 0 C--N 1.34 0.781 0 CA-C-O 118.83 -0.983 . . . . 0.0 114.21 179.205 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -96.7 124.18 40.6 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 118.704 1.252 . . . . 0.0 110.748 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.7 m -70.17 152.82 43.84 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.915 1.286 . . . . 0.0 112.026 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -52.99 -43.27 66.31 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.375 0.67 . . . . 0.0 111.982 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -57.62 -56.39 22.5 Favored 'General case' 0 C--O 1.226 -0.152 0 C-N-CA 124.141 0.976 . . . . 0.0 110.258 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -55.96 -43.71 77.78 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 124.729 1.212 . . . . 0.0 110.037 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.498 HG21 HG23 ' A' ' 13' ' ' ILE . 65.1 mt -57.59 -50.02 78.65 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 CA-C-N 118.755 0.707 . . . . 0.0 109.71 179.673 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -63.85 -38.82 92.51 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.636 0.653 . . . . 0.0 110.197 178.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -63.73 -42.45 97.89 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 120.705 -1.247 . . . . 0.0 109.472 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.76 -38.98 90.55 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.664 -0.647 . . . . 0.0 109.365 178.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.3 mt -63.62 -54.31 37.88 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 123.747 0.819 . . . . 0.0 111.407 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.5 p -56.7 -48.51 80.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 118.717 0.689 . . . . 0.0 110.566 -179.089 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 76.6 mt -63.31 -29.33 46.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 122.685 0.394 . . . . 0.0 110.308 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.25 15.05 9.59 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.977 0.911 . . . . 0.0 112.017 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.2 m170 55.7 41.29 30.56 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 119.949 1.25 . . . . 0.0 109.946 -178.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 65.51 6.56 3.83 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 128.216 2.606 . . . . 0.0 113.038 -179.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -70.74 100.77 1.95 Allowed 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.26 1.024 . . . . 0.0 108.619 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.8 tp -54.84 -46.14 75.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 C-N-CA 123.869 0.867 . . . . 0.0 111.586 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -59.82 -45.76 91.36 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 123.057 0.543 . . . . 0.0 111.718 -178.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.8 ttt -65.58 -49.48 68.67 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.917 1.287 . . . . 0.0 107.969 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.14 -38.36 76.4 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.412 0.685 . . . . 0.0 110.776 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -60.45 -42.12 95.52 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -63.02 -42.25 99.76 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 118.502 -0.761 . . . . 0.0 109.366 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 68.1 mt -54.83 -58.58 3.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.3 mt -54.51 -36.37 64.15 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 123.799 0.84 . . . . 0.0 112.349 -179.173 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 43.8 ttt180 -64.85 -34.39 78.27 Favored 'General case' 0 C--O 1.23 0.064 0 N-CA-C 114.309 1.225 . . . . 0.0 114.309 -179.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -100.28 -33.19 10.51 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 118.865 0.757 . . . . 0.0 112.245 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -89.27 -23.67 22.25 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 115.432 1.642 . . . . 0.0 115.432 -177.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.4 t -120.25 -172.84 2.44 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -174.76 167.69 40.01 Favored Glycine 0 N--CA 1.447 -0.611 0 O-C-N 121.226 -0.921 . . . . 0.0 111.284 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.29 98.74 0.4 Allowed 'Trans proline' 0 N--CA 1.445 -1.331 0 C-N-CA 123.697 2.931 . . . . 0.0 107.342 179.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.0 m -64.6 161.1 18.23 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 124.591 1.156 . . . . 0.0 109.386 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.4 t -74.06 174.35 8.77 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.858 0 N-CA-C 105.468 -3.053 . . . . 0.0 105.468 -179.154 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.9 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.1 t -89.66 163.9 14.94 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 178.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 81.2 p -159.78 158.66 31.56 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 126.695 1.998 . . . . 0.0 105.889 178.025 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.8 175.79 19.16 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 109.787 -1.325 . . . . 0.0 109.787 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -158.89 92.88 1.13 Allowed 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 121.975 -0.721 . . . . 0.0 110.795 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 77.8 p -136.97 151.41 48.98 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 177.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.58 172.03 41.06 Favored Glycine 0 CA--C 1.529 0.947 0 N-CA-C 108.619 -1.792 . . . . 0.0 108.619 -178.146 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -63.45 135.95 57.26 Favored 'General case' 0 C--O 1.232 0.137 0 O-C-N 121.407 -1.055 . . . . 0.0 109.573 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 7.2 tt -60.39 -31.66 70.57 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 119.169 -0.443 . . . . 0.0 110.099 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 3.3 m -58.12 -38.48 76.59 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 119.1 0.864 . . . . 0.0 111.078 178.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 50.7 m -59.86 -35.18 74.26 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.925 0.784 . . . . 0.0 109.774 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -73.45 -32.62 64.46 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.36 0.664 . . . . 0.0 110.499 179.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 82.1 mt -60.44 -45.09 97.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 CA-C-N 119.757 1.162 . . . . 0.0 109.007 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -60.45 -30.6 69.76 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.249 0.22 . . . . 0.0 111.064 -179.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -68.4 -38.92 81.73 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 121.206 -0.934 . . . . 0.0 109.789 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 20.0 mt -63.01 -30.01 71.27 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 119.057 -0.497 . . . . 0.0 110.551 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 34.7 mtt -63.75 -30.68 71.75 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.26 0.936 . . . . 0.0 110.237 179.042 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 71.1 m -65.67 -29.19 69.72 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.559 0.618 . . . . 0.0 109.907 178.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -82.91 4.78 24.25 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.834 0.854 . . . . 0.0 111.427 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.74 1.6 85.13 Favored Glycine 0 C--N 1.338 0.662 0 C-N-CA 126.105 1.812 . . . . 0.0 115.082 178.094 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -72.97 138.72 46.25 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 118.592 1.196 . . . . 0.0 110.571 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 75.7 m -78.3 145.85 35.12 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 124.475 1.11 . . . . 0.0 108.945 179.109 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -53.48 -41.56 66.34 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.193 0.997 . . . . 0.0 111.615 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -60.45 -47.02 87.93 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 118.6 0.636 . . . . 0.0 110.23 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ASP . . . . . 0.564 ' HA ' ' HE3' ' B' ' 28' ' ' LYS . 52.9 m-20 -60.42 -46.16 91.03 Favored 'General case' 0 CA--C 1.521 -0.168 0 C-N-CA 123.862 0.865 . . . . 0.0 108.691 178.514 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 50.3 mt -57.04 -47.7 83.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -62.15 -50.43 71.9 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 117.869 -1.062 . . . . 0.0 111.26 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.564 ' HE3' ' HA ' ' B' ' 25' ' ' ASP . 43.6 mtmt -55.23 -46.48 75.98 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 124.848 1.259 . . . . 0.0 109.717 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.32 -42.43 98.67 Favored 'General case' 0 C--O 1.223 -0.312 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 24.7 mt -65.16 -29.01 69.81 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-O 117.973 -1.013 . . . . 0.0 111.727 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 39.5 t -72.51 -55.63 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.099 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 178.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 55.5 mt -62.84 -24.71 36.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 C-N-CA 124.79 1.236 . . . . 0.0 112.12 -178.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.06 5.58 40.37 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 120.759 -1.213 . . . . 0.0 110.087 178.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 17.2 m170 54.2 58.51 4.92 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.284 1.834 . . . . 0.0 108.138 -178.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 13.8 m120 60.13 6.94 1.07 Allowed 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 128.293 2.637 . . . . 0.0 113.893 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -82.06 104.31 12.32 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 120.66 -1.275 . . . . 0.0 111.353 -179.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 4.6 tp -60.44 -39.54 81.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 123.644 0.778 . . . . 0.0 112.16 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -59.0 -47.77 84.01 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 119.215 0.916 . . . . 0.0 110.744 -179.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 12.0 ttt -66.33 -46.28 77.4 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 124.858 1.263 . . . . 0.0 108.682 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.65 -39.79 85.57 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.284 0.493 . . . . 0.0 111.333 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -56.77 -45.5 82.07 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -62.88 -37.75 88.14 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-O 118.074 -0.965 . . . . 0.0 111.982 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 68.2 mt -59.2 -57.21 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-N 119.888 1.222 . . . . 0.0 107.868 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 31.2 mt -56.79 -35.0 68.21 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 125.127 1.371 . . . . 0.0 111.026 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 36.4 ttt180 -63.53 -27.3 69.17 Favored 'General case' 0 C--O 1.228 -0.067 0 N-CA-C 114.325 1.232 . . . . 0.0 114.325 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -109.67 -47.82 3.31 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 119.894 1.225 . . . . 0.0 111.324 -178.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -72.63 -59.39 2.74 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 122.976 0.51 . . . . 0.0 111.429 -179.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.77 -179.17 7.35 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 122.123 0.963 . . . . 0.0 110.838 -179.576 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 179.87 171.07 42.36 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 108.933 -1.667 . . . . 0.0 108.933 179.161 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -73.77 83.17 1.61 Allowed 'Trans proline' 0 N--CA 1.451 -1.011 0 C-N-CA 123.749 2.966 . . . . 0.0 108.867 179.028 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 18.6 m -61.17 164.55 5.14 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.283 1.033 . . . . 0.0 110.372 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 9.8 t -50.78 109.56 0.33 Allowed 'General case' 0 C--O 1.237 0.427 0 C-N-CA 125.071 1.348 . . . . 0.0 111.547 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.245 -1.309 . . . . 0.0 110.428 179.893 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.512 0 N-CA-C 109.096 -1.602 . . . . 0.0 109.096 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.2 m -61.11 156.21 18.67 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 124.792 1.237 . . . . 0.0 111.103 -179.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.89 163.05 33.95 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 124.552 1.141 . . . . 0.0 109.96 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.25 172.94 20.27 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 125.766 1.651 . . . . 0.0 110.224 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.3 m -68.15 157.11 36.08 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 123.584 0.754 . . . . 0.0 110.378 179.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.2 m -113.43 172.57 6.88 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.086 1.355 . . . . 0.0 109.188 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.56 -113.53 0.57 Allowed Glycine 0 C--N 1.331 0.292 0 N-CA-C 108.343 -1.903 . . . . 0.0 108.343 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -101.99 148.77 24.96 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.4 mp -70.61 -18.49 62.88 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 118.537 -0.744 . . . . 0.0 112.274 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.6 m -65.0 -29.96 70.92 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 120.232 1.378 . . . . 0.0 109.526 178.36 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 56.8 m -68.24 -19.73 64.76 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 118.79 0.723 . . . . 0.0 110.542 178.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -78.57 -26.58 45.59 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.045 -1.035 . . . . 0.0 108.834 179.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.49 -45.85 97.78 Favored 'Isoleucine or valine' 0 C--N 1.343 0.304 0 N-CA-C 105.712 -1.959 . . . . 0.0 105.712 178.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -59.74 -28.37 67.3 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.632 0.773 . . . . 0.0 111.105 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -84.91 -34.67 22.49 Favored 'General case' 0 C--N 1.342 0.257 0 CA-C-N 119.037 0.835 . . . . 0.0 110.856 179.117 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.489 HD21 ' HG2' ' A' ' 41' ' ' LYS . 20.0 mt -69.14 -33.02 72.79 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 118.762 -0.637 . . . . 0.0 110.185 179.047 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.0 mtt -53.34 -44.77 68.76 Favored 'General case' 0 C--N 1.341 0.208 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 m -60.14 1.11 0.12 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 127.249 2.22 . . . . 0.0 115.502 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -111.9 -7.58 14.15 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.604 1.162 . . . . 0.0 110.915 178.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.14 -4.22 31.64 Favored Glycine 0 C--N 1.337 0.631 0 C-N-CA 125.541 1.543 . . . . 0.0 113.901 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -76.79 118.22 19.18 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 118.946 1.373 . . . . 0.0 108.274 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.4 m -66.46 155.89 36.27 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -50.52 -43.92 56.08 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.752 0.821 . . . . 0.0 112.316 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -60.24 -45.24 93.93 Favored 'General case' 0 C--O 1.224 -0.266 0 C-N-CA 123.083 0.553 . . . . 0.0 110.814 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -61.48 -46.49 89.81 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.8 mt -58.8 -46.48 90.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -59.89 -51.39 69.89 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 124.646 1.178 . . . . 0.0 110.535 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.3 mtpt -56.71 -46.09 81.46 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 124.109 0.964 . . . . 0.0 109.453 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.19 -41.49 97.07 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 118.864 0.756 . . . . 0.0 110.458 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 27.6 mt -61.73 -54.4 43.08 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 118.754 0.706 . . . . 0.0 111.844 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.6 p -57.49 -39.53 69.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 CA-C-N 118.661 0.664 . . . . 0.0 111.646 -178.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.435 HD11 ' HG3' ' B' ' 46' ' ' GLU . 66.8 mt -71.39 -33.18 49.13 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 O-C-N 121.425 -0.797 . . . . 0.0 110.078 179.514 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.31 4.05 32.85 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.177 1.391 . . . . 0.0 111.807 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 21.7 m170 58.48 53.36 6.28 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.488 1.515 . . . . 0.0 108.474 -178.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 44.5 t30 62.42 6.01 1.8 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 127.817 2.447 . . . . 0.0 114.001 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -75.06 103.65 5.33 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 119.106 0.867 . . . . 0.0 108.717 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 8.6 tp -60.88 -40.42 85.18 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 123.27 0.628 . . . . 0.0 112.616 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.42 -40.26 95.98 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 119.284 0.947 . . . . 0.0 111.096 -178.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 21.1 ttt -74.05 -46.96 39.98 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 125.174 1.39 . . . . 0.0 108.204 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.72 -38.57 78.64 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.228 1.011 . . . . 0.0 110.568 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.489 ' HG2' HD21 ' A' ' 16' ' ' LEU . 69.8 mttt -59.57 -43.09 93.7 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 118.14 -0.934 . . . . 0.0 109.468 178.721 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -60.0 -44.4 94.57 Favored 'General case' 0 N--CA 1.458 -0.031 0 CA-C-O 118.555 -0.736 . . . . 0.0 109.704 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 63.7 mt -53.94 -55.91 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.4 mt -58.84 -41.1 86.14 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 123.499 0.719 . . . . 0.0 112.902 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -73.73 -6.83 49.32 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 116.103 1.89 . . . . 0.0 116.103 -178.03 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.533 ' HB3' ' HE3' ' B' ' 28' ' ' LYS . 44.1 mm-40 -120.13 -40.42 2.72 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -179.345 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -92.24 -31.0 15.59 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 119.228 0.922 . . . . 0.0 111.417 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.2 m -109.44 -177.4 3.28 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 124.823 1.249 . . . . 0.0 108.064 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -165.7 179.55 39.94 Favored Glycine 0 CA--C 1.526 0.774 0 O-C-N 121.388 -0.82 . . . . 0.0 111.964 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -72.46 157.64 52.61 Favored 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 123.063 2.509 . . . . 0.0 109.58 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.6 p -120.98 -23.6 5.81 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.344 1.058 . . . . 0.0 113.36 -179.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.5 m -142.8 128.55 19.31 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.765 0 CA-C-O 118.06 -1.411 . . . . 0.0 109.574 -179.603 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.831 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 32.1 m -54.9 132.61 46.95 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 125.374 1.47 . . . . 0.0 110.196 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 66.6 p -146.21 173.32 12.33 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 120.993 0.425 . . . . 0.0 111.794 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.58 177.81 41.24 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.267 -1.133 . . . . 0.0 110.267 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.28 134.4 45.54 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 179.263 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 20.7 m -135.68 171.98 13.67 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 126.835 2.054 . . . . 0.0 107.375 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.1 -42.63 0.5 Allowed Glycine 0 CA--C 1.519 0.321 0 N-CA-C 110.192 -1.163 . . . . 0.0 110.192 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -141.42 141.3 33.73 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 178.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 9.8 mp -63.65 -29.75 70.95 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.283 1.033 . . . . 0.0 108.793 179.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 15.8 m -55.01 -38.36 67.79 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 124.801 1.241 . . . . 0.0 109.837 178.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.78 -41.79 64.65 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.531 1.532 . . . . 0.0 110.3 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -63.18 -38.73 92.33 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.4 1.08 . . . . 0.0 110.243 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 50.3 mt -58.18 -41.67 81.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 C-N-CA 124.803 1.241 . . . . 0.0 108.817 179.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -65.9 -25.35 67.12 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 121.759 -0.588 . . . . 0.0 111.576 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -80.98 -26.14 36.78 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 119.359 0.981 . . . . 0.0 109.534 178.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 14.7 mt -68.56 -37.01 79.55 Favored 'General case' 0 C--O 1.232 0.16 0 O-C-N 121.378 -0.826 . . . . 0.0 109.076 179.062 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 54.4 mtt -55.8 -40.12 72.26 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 123.648 0.779 . . . . 0.0 109.833 178.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 2.7 m -57.94 -18.91 26.43 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.529 1.531 . . . . 0.0 112.9 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -93.39 -22.41 18.94 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 119.531 1.059 . . . . 0.0 110.832 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.52 -20.81 5.47 Favored Glycine 0 C--N 1.337 0.637 0 C-N-CA 124.502 1.048 . . . . 0.0 114.226 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -58.04 122.02 12.03 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 9.7 m -68.78 158.24 34.76 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.967 0.413 . . . . 0.0 110.289 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -55.66 -45.2 77.75 Favored 'General case' 0 N--CA 1.455 -0.201 0 O-C-N 121.676 -0.64 . . . . 0.0 111.72 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -62.02 -39.8 93.53 Favored 'General case' 0 N--CA 1.457 -0.093 0 CA-C-O 118.938 -0.553 . . . . 0.0 111.101 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -63.54 -47.59 80.97 Favored 'General case' 0 CA--C 1.52 -0.175 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 53.9 mt -58.47 -51.76 67.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -57.06 -44.12 82.74 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 118.688 0.676 . . . . 0.0 110.473 179.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.533 ' HE3' ' HB3' ' A' ' 46' ' ' GLU . 34.2 mtpt -60.0 -46.59 88.98 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 123.699 0.8 . . . . 0.0 109.727 179.281 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.75 -46.5 87.76 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.566 -0.709 . . . . 0.0 109.597 179.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -57.96 -56.8 17.37 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.58 0.752 . . . . 0.0 111.718 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 6.0 p -56.09 -47.31 80.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 118.228 0.467 . . . . 0.0 111.901 -178.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 88.9 mt -65.12 -33.78 66.08 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 CA-C-O 119.018 -0.515 . . . . 0.0 110.034 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.93 12.48 1.35 Allowed 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.055 0.843 . . . . 0.0 111.171 178.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 19.9 m170 60.52 34.88 20.29 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.55 1.54 . . . . 0.0 108.401 -178.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 61.2 t30 76.32 4.97 3.67 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 129.748 3.219 . . . . 0.0 113.364 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -75.34 105.25 6.27 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 120.465 -1.397 . . . . 0.0 109.427 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 6.6 tp -57.48 -39.4 68.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 125.218 1.407 . . . . 0.0 113.463 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -65.4 -47.1 77.45 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 124.148 0.979 . . . . 0.0 110.13 -178.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 15.2 ttt -65.83 -41.65 91.52 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 125.636 1.574 . . . . 0.0 108.174 179.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.86 -36.08 83.19 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.236 1.015 . . . . 0.0 111.218 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -61.91 -40.09 94.26 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -62.4 -40.34 96.2 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-O 118.522 -0.751 . . . . 0.0 109.407 178.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 69.9 mt -58.13 -55.88 19.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 62.1 mt -55.56 -49.24 73.21 Favored 'General case' 0 C--O 1.223 -0.33 0 C-N-CA 123.136 0.575 . . . . 0.0 110.968 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 33.1 ttm-85 -61.36 -41.51 97.19 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.435 ' HG3' HD11 ' A' ' 32' ' ' ILE . 65.6 mm-40 -79.64 -31.4 41.54 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 115.826 1.788 . . . . 0.0 115.826 -177.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -107.17 -51.18 2.96 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 119.56 1.073 . . . . 0.0 112.967 -178.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 14.0 m -84.79 -179.44 7.1 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.252 1.421 . . . . 0.0 110.938 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -167.43 178.61 41.39 Favored Glycine 0 CA--C 1.528 0.905 0 O-C-N 120.978 -1.076 . . . . 0.0 111.396 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -65.91 170.28 11.83 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 123.675 2.917 . . . . 0.0 111.448 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 9.3 p -126.18 -22.1 4.14 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.116 1.366 . . . . 0.0 112.597 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 19.7 t -154.01 179.62 8.75 Favored 'General case' 0 C--O 1.242 0.676 0 C-N-CA 125.166 1.386 . . . . 0.0 108.848 178.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.935 0 CA-C-O 116.977 -2.013 . . . . 0.0 109.966 -179.133 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.902 0 N-CA-C 109.97 -1.252 . . . . 0.0 109.97 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.6 p -65.88 173.77 2.77 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 117.312 0.556 . . . . 0.0 111.242 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.3 p -147.18 -160.71 1.2 Allowed 'General case' 0 C--O 1.241 0.615 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 178.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.71 -42.51 1.89 Allowed Glycine 0 CA--C 1.519 0.334 0 CA-C-O 118.149 -1.362 . . . . 0.0 113.2 178.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -146.62 -59.9 0.3 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-N 118.927 1.364 . . . . 0.0 111.397 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.97 178.75 4.11 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 122.957 0.503 . . . . 0.0 111.209 -179.514 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.79 -9.02 0.45 Allowed Glycine 0 CA--C 1.529 0.936 0 C-N-CA 124.847 1.213 . . . . 0.0 113.599 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 -55.76 142.31 35.1 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 126.071 1.748 . . . . 0.0 108.055 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -80.29 -14.3 58.49 Favored 'General case' 0 C--O 1.227 -0.117 0 N-CA-C 115.72 1.748 . . . . 0.0 115.72 -178.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.55 -47.06 76.97 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 121.165 1.802 . . . . 0.0 110.302 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.3 p -69.63 -31.22 69.19 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 125.34 1.456 . . . . 0.0 110.813 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -66.57 -27.55 67.82 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 121.283 -0.886 . . . . 0.0 110.386 178.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.5 mt -66.22 -46.53 87.16 Favored 'Isoleucine or valine' 0 C--N 1.341 0.221 0 N-CA-C 105.557 -2.016 . . . . 0.0 105.557 178.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -57.41 -42.23 81.87 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 117.989 0.359 . . . . 0.0 110.546 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -60.78 -33.33 72.81 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 118.979 -0.534 . . . . 0.0 110.061 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 16' ' ' LEU . 32.8 mt -76.56 -24.57 53.57 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 119.061 0.846 . . . . 0.0 111.86 179.106 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 64.3 mtt -60.33 -32.22 71.04 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.0 m -64.21 -13.24 47.62 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 125.773 1.629 . . . . 0.0 113.416 179.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -93.51 -19.17 21.49 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.913 0.779 . . . . 0.0 109.437 178.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.51 6.3 27.23 Favored Glycine 0 CA--C 1.534 1.265 0 CA-C-O 118.573 -1.126 . . . . 0.0 113.998 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -81.35 151.07 28.16 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 119.272 1.536 . . . . 0.0 107.625 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.9 m -86.86 152.01 22.83 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.713 -0.617 . . . . 0.0 110.964 179.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -51.25 -49.86 60.33 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 124.81 1.244 . . . . 0.0 112.191 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -60.42 -48.61 81.0 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.545 0.738 . . . . 0.0 110.871 -178.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -56.13 -44.9 79.63 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.989 0.813 . . . . 0.0 109.658 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.0 mt -59.76 -45.13 94.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -63.49 -41.01 98.56 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.956 0.798 . . . . 0.0 110.516 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -62.45 -48.1 81.12 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 120.294 1.406 . . . . 0.0 108.278 178.622 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.39 -40.46 86.66 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.746 -0.596 . . . . 0.0 110.945 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 22.5 mt -65.93 -48.53 71.06 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-O 118.072 -0.966 . . . . 0.0 112.347 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.2 -39.42 85.19 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 CA-C-N 119.293 0.952 . . . . 0.0 111.333 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.462 HD11 ' HG3' ' B' ' 46' ' ' GLU . 48.7 mt -71.2 -27.49 29.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 O-C-N 121.05 -1.032 . . . . 0.0 109.152 179.381 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.24 12.79 14.98 Favored 'General case' 0 N--CA 1.449 -0.523 0 O-C-N 120.966 -1.084 . . . . 0.0 111.109 179.085 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 10.3 m170 51.82 53.43 12.65 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 122.864 1.316 . . . . 0.0 110.266 -179.368 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 63.18 4.32 1.58 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 127.416 2.287 . . . . 0.0 113.601 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -77.27 106.17 8.84 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 120.302 1.41 . . . . 0.0 110.502 -179.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.1 tp -59.98 -43.24 91.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 123.939 0.895 . . . . 0.0 112.894 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -62.77 -46.45 87.94 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 119.772 1.169 . . . . 0.0 111.401 -178.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 16.3 ttt -63.01 -49.03 76.28 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.38 -42.33 81.92 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.885 0.874 . . . . 0.0 111.399 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -58.57 -41.73 86.36 Favored 'General case' 0 C--O 1.233 0.231 0 O-C-N 121.604 -0.685 . . . . 0.0 109.572 179.046 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -65.04 -37.23 86.91 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-O 117.907 -1.044 . . . . 0.0 109.682 179.15 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.4 mt -58.9 -54.83 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 106.209 -1.774 . . . . 0.0 106.209 178.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.0 mt -56.28 -35.99 68.1 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.315 0.646 . . . . 0.0 112.327 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.95 -36.74 84.94 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 119.721 1.146 . . . . 0.0 113.71 -179.111 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -104.08 -18.5 14.52 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -179.252 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -112.12 -17.35 12.84 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 t -125.91 23.64 7.18 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.296 1.838 . . . . 0.0 108.11 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -160.3 174.31 37.01 Favored Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 108.399 -1.88 . . . . 0.0 108.399 -179.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -68.61 108.85 1.94 Allowed 'Trans proline' 0 N--CA 1.451 -1.008 0 C-N-CA 122.921 2.414 . . . . 0.0 111.031 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.3 p -71.52 96.63 1.54 Allowed 'General case' 0 C--O 1.236 0.363 0 N-CA-C 105.042 -2.207 . . . . 0.0 105.042 178.031 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.3 t -63.03 -26.07 68.67 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 125.957 1.703 . . . . 0.0 115.534 -177.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.969 0 CA-C-N 121.764 2.074 . . . . 0.0 110.106 -179.741 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.533 0 N-CA-C 110.372 -1.091 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 6.3 p -71.33 175.16 5.62 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 124.183 0.993 . . . . 0.0 112.362 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 24.9 p -143.53 174.39 10.8 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 124.101 0.96 . . . . 0.0 110.528 178.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.27 -93.89 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 107.21 -2.356 . . . . 0.0 107.21 179.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 71.1 m -133.8 1.59 3.34 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.161 1.384 . . . . 0.0 112.52 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 15.7 t -101.84 130.96 48.41 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 124.435 1.094 . . . . 0.0 108.824 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.75 5.17 3.09 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 127.159 2.314 . . . . 0.0 111.169 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -76.1 159.25 30.93 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 126.608 1.963 . . . . 0.0 107.742 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 10.2 mp -108.77 -17.8 13.86 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 118.342 -0.837 . . . . 0.0 112.341 -179.203 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.87 -45.43 71.0 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.348 1.059 . . . . 0.0 111.329 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 15.8 p -62.11 -30.2 70.85 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.07 0.548 . . . . 0.0 111.927 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -78.64 -23.15 45.97 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.444 1.098 . . . . 0.0 111.777 -178.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 67.2 mt -66.91 -49.32 75.03 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 N-CA-C 106.051 -1.833 . . . . 0.0 106.051 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -60.29 -30.46 69.48 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 122.163 -0.336 . . . . 0.0 111.54 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 79.5 mtt180 -70.81 -37.93 73.29 Favored 'General case' 0 C--N 1.34 0.175 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 20.8 mt -70.94 -31.01 67.48 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 118.924 -0.56 . . . . 0.0 111.187 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 17.9 mtt -57.86 -33.0 68.2 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 118.761 0.71 . . . . 0.0 111.069 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 10.6 m -61.36 -23.15 65.57 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.728 0.811 . . . . 0.0 112.553 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -87.12 -1.81 58.16 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.384 -0.823 . . . . 0.0 111.138 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.65 -0.2 56.65 Favored Glycine 0 CA--C 1.523 0.576 0 CA-C-O 118.347 -1.252 . . . . 0.0 114.54 179.064 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -73.79 123.72 24.7 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 119.142 1.471 . . . . 0.0 108.846 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 6.0 m -62.81 155.96 25.34 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 118.504 0.593 . . . . 0.0 109.547 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -57.56 -47.16 82.84 Favored 'General case' 0 C--O 1.232 0.169 0 O-C-N 121.611 -0.681 . . . . 0.0 110.97 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -61.6 -43.44 98.86 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 118.61 -0.71 . . . . 0.0 110.952 -178.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -54.95 -50.52 68.69 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 31.3 mt -58.5 -44.53 89.26 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 O-C-N 121.093 -1.004 . . . . 0.0 109.072 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -59.92 -47.72 84.64 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.509 -0.744 . . . . 0.0 111.305 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -61.75 -46.96 87.36 Favored 'General case' 0 CA--C 1.52 -0.181 0 C-N-CA 123.653 0.781 . . . . 0.0 109.525 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.76 -43.89 97.41 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 119.047 -0.501 . . . . 0.0 109.953 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 33.6 mt -63.32 -47.3 82.78 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 119.103 0.865 . . . . 0.0 113.322 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 9.9 p -64.52 -47.04 90.85 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 CA-C-O 118.629 -0.701 . . . . 0.0 109.915 -179.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 58.5 mt -65.23 -35.47 75.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.47 1.96 15.08 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.132 -0.98 . . . . 0.0 111.944 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 31.9 m170 60.95 56.51 2.83 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 126.128 1.771 . . . . 0.0 110.435 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 56.5 29.6 15.69 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 126.357 1.863 . . . . 0.0 113.382 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -106.22 103.6 13.11 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 7.2 tp -60.77 -37.3 75.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 C-N-CA 123.374 0.67 . . . . 0.0 112.526 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -70.25 -36.82 74.71 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.506 1.048 . . . . 0.0 112.368 -178.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 12.7 ttt -73.39 -48.9 30.28 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 106.497 -1.668 . . . . 0.0 106.497 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.38 -39.66 84.07 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.973 0.909 . . . . 0.0 110.088 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -55.88 -43.9 77.62 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 123.717 0.807 . . . . 0.0 108.999 178.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 46.6 m-20 -65.26 -36.21 83.43 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-O 118.585 -0.721 . . . . 0.0 110.444 178.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.414 ' HA ' HD13 ' A' ' 32' ' ' ILE . 68.6 mt -60.71 -50.7 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 178.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.71 -37.87 83.15 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.329 0.652 . . . . 0.0 111.873 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -68.46 -33.23 73.82 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 -178.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.462 ' HG3' HD11 ' A' ' 32' ' ' ILE . 29.9 mm-40 -92.95 -53.24 4.23 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.602 0.637 . . . . 0.0 112.536 -178.671 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -78.23 -51.71 9.77 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 121.637 -0.665 . . . . 0.0 111.774 -178.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.0 16.25 5.17 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.272 1.029 . . . . 0.0 110.75 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -141.51 -178.08 17.34 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 125.358 1.456 . . . . 0.0 110.331 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -69.99 108.37 2.11 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 123.254 2.636 . . . . 0.0 112.523 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 6.1 p -82.02 67.6 8.08 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 178.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 23.3 t -49.05 -50.77 34.82 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 127.256 2.222 . . . . 0.0 111.903 -178.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 N-CA-C 106.452 -2.659 . . . . 0.0 106.452 179.294 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.828 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 m -150.83 177.13 10.41 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 125.239 1.416 . . . . 0.0 107.592 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 p -148.46 174.51 12.0 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 123.855 0.862 . . . . 0.0 108.85 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.44 -169.61 15.86 Favored Glycine 0 CA--C 1.523 0.58 0 C-N-CA 124.253 0.93 . . . . 0.0 110.849 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 p -84.09 -12.88 54.37 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.758 1.223 . . . . 0.0 113.73 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 p -63.46 176.87 0.75 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.281 1.832 . . . . 0.0 113.621 -179.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.05 161.97 31.46 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 107.938 -2.065 . . . . 0.0 107.938 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 -116.49 -170.81 1.89 Allowed 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 126.13 1.772 . . . . 0.0 107.603 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.6 mp -60.11 -23.01 63.5 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.321 -0.862 . . . . 0.0 109.571 178.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.63 -29.69 62.48 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.931 1.292 . . . . 0.0 109.7 178.592 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 62.9 p -63.56 -42.42 98.34 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.855 1.207 . . . . 0.0 109.973 178.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -64.17 -34.01 77.09 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.162 1.385 . . . . 0.0 110.739 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 59.9 mt -59.69 -45.5 94.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -65.45 -17.32 64.46 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 123.048 0.539 . . . . 0.0 111.946 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -87.85 -38.27 15.81 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 178.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.1 mt -61.19 -34.5 75.17 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 33.6 mtt -60.39 -40.0 89.3 Favored 'General case' 0 C--N 1.339 0.151 0 CA-C-N 118.43 0.559 . . . . 0.0 110.37 178.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.7 t -66.92 -25.7 66.5 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -73.21 -29.08 62.55 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 119.241 0.928 . . . . 0.0 109.747 178.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 133.18 -20.65 4.2 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 124.748 1.166 . . . . 0.0 113.529 179.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -67.13 131.84 46.61 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.449 1.124 . . . . 0.0 111.992 -178.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.21 153.06 43.54 Favored 'General case' 0 CA--C 1.53 0.192 0 O-C-N 121.781 -0.574 . . . . 0.0 110.14 179.494 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -59.62 -37.68 79.28 Favored 'General case' 0 C--O 1.236 0.382 0 O-C-N 121.532 -0.73 . . . . 0.0 110.826 179.089 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -58.58 -54.91 41.76 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.91 -52.44 57.68 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 127.897 2.479 . . . . 0.0 109.921 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 55.1 mt -53.3 -54.45 17.84 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 C-N-CA 124.324 1.05 . . . . 0.0 110.325 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -64.59 -50.81 65.77 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 117.428 -1.273 . . . . 0.0 109.866 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -48.61 -41.9 32.36 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 120.427 1.467 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.91 -47.27 63.1 Favored 'General case' 0 C--O 1.228 -0.075 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.2 mt -56.61 -47.56 79.35 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-O 117.982 -1.009 . . . . 0.0 111.061 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.9 t -54.62 -53.04 35.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-N 119.37 0.986 . . . . 0.0 109.487 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.16 -36.39 75.78 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 C-N-CA 123.324 0.65 . . . . 0.0 110.399 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.24 15.65 1.15 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.098 1.359 . . . . 0.0 112.201 179.325 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 55.45 38.72 30.66 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 120.082 1.31 . . . . 0.0 109.961 -178.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 33.6 m120 65.8 16.76 10.62 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 128.705 2.802 . . . . 0.0 113.355 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -81.18 111.27 17.45 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.424 1.09 . . . . 0.0 108.385 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.1 tp -61.52 -42.37 93.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 124.294 1.037 . . . . 0.0 113.745 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -66.72 -46.06 76.72 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.15 -0.969 . . . . 0.0 110.424 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 16.3 ttt -61.94 -48.74 79.08 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.74 -39.84 86.11 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.506 0.723 . . . . 0.0 111.261 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -57.75 -43.18 85.24 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 123.505 0.722 . . . . 0.0 109.897 178.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -62.37 -42.35 99.34 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 123.923 0.764 . . . . 0.0 109.022 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 39.2 mt -57.21 -55.69 19.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.3 mt -55.04 -45.56 75.23 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.271 0.628 . . . . 0.0 111.683 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.6 ttt180 -64.23 -40.27 95.69 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -178.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -89.59 -22.98 22.08 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 115.615 1.709 . . . . 0.0 115.615 -178.467 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -112.21 -20.86 11.73 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 119.945 1.248 . . . . 0.0 113.78 -179.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.6 t -121.75 13.4 10.75 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.238 1.415 . . . . 0.0 109.089 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -143.01 -161.82 8.99 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 126.76 2.124 . . . . 0.0 110.249 -179.239 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -66.82 158.74 54.82 Favored 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 123.18 2.587 . . . . 0.0 113.721 -178.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.5 p -69.1 105.55 2.49 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 107.068 -1.456 . . . . 0.0 107.068 178.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 t 70.86 140.91 0.05 OUTLIER 'General case' 0 C--O 1.236 0.352 0 C-N-CA 126.052 1.741 . . . . 0.0 110.818 -179.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.074 0 CA-C-O 116.122 -2.488 . . . . 0.0 111.269 179.301 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.952 0 N-CA-C 108.271 -1.932 . . . . 0.0 108.271 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 14.7 m -132.61 164.87 25.72 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 106.703 -1.592 . . . . 0.0 106.703 178.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 12.4 p -144.51 -179.06 6.31 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 124.386 1.074 . . . . 0.0 109.325 -179.297 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.26 -175.62 15.73 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 108.228 -1.949 . . . . 0.0 108.228 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 3.0 p -68.62 2.21 2.62 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.942 1.297 . . . . 0.0 113.411 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 3.2 p -66.97 156.51 35.76 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.836 1.254 . . . . 0.0 110.53 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.46 166.37 27.28 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 126.143 1.83 . . . . 0.0 108.65 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -140.46 177.48 7.98 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.542 1.537 . . . . 0.0 108.364 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 10.9 mp -55.36 -22.35 19.06 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 119.452 1.024 . . . . 0.0 112.146 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.15 -32.18 54.62 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.73 1.212 . . . . 0.0 110.334 178.581 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 13.4 p -65.26 -42.69 92.98 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 118.432 0.56 . . . . 0.0 110.344 178.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -64.69 -38.31 90.55 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 90.4 mt -61.41 -43.24 96.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 N-CA-C 107.548 -1.278 . . . . 0.0 107.548 178.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -62.86 -38.47 90.96 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 118.604 0.638 . . . . 0.0 109.949 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 -68.3 -36.76 79.83 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 118.143 -0.932 . . . . 0.0 109.967 179.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 85.6 mt -66.55 -39.43 88.53 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 14.5 mtm -63.18 -43.42 98.27 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 178.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 9.5 t -62.32 -38.72 90.55 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.145 0.978 . . . . 0.0 109.312 178.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -59.02 -35.17 72.83 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-N 119.443 1.02 . . . . 0.0 109.979 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 145.17 -5.01 1.39 Allowed Glycine 0 C--N 1.337 0.623 0 CA-C-O 118.511 -1.161 . . . . 0.0 113.864 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -82.93 165.33 19.82 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 119.455 1.627 . . . . 0.0 110.831 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 55.7 m -102.81 152.35 21.36 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 125.19 1.396 . . . . 0.0 108.797 179.243 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -55.33 -36.56 66.38 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.542 0.337 . . . . 0.0 111.011 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -54.31 -63.87 1.01 Allowed 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.554 1.142 . . . . 0.0 111.3 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -57.12 -44.86 83.72 Favored 'General case' 0 CA--C 1.517 -0.319 0 C-N-CA 124.867 1.267 . . . . 0.0 111.474 -178.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 31.4 mt -59.85 -46.91 93.25 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -63.75 -55.43 23.27 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 118.701 -0.666 . . . . 0.0 110.227 179.018 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mtpp -50.79 -39.51 52.92 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.299 0.954 . . . . 0.0 110.702 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.43 -53.84 17.33 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-O 118.317 -0.849 . . . . 0.0 108.766 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 15.0 mt -52.33 -47.2 66.15 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.232 1.413 . . . . 0.0 112.246 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 55.0 t -56.43 -57.69 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 C-N-CA 125.484 1.514 . . . . 0.0 108.504 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 62.0 mt -66.81 -25.27 34.22 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 C-N-CA 123.06 0.544 . . . . 0.0 110.424 -179.397 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.74 15.33 3.3 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.755 1.622 . . . . 0.0 111.885 179.27 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 52.66 45.77 28.02 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.322 1.049 . . . . 0.0 110.756 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 27.5 m120 62.45 25.39 15.14 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.389 1.876 . . . . 0.0 113.808 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -99.33 110.27 22.8 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.73 1.212 . . . . 0.0 108.816 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 5.0 tp -62.26 -37.26 78.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 124.48 1.112 . . . . 0.0 113.097 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -72.67 -45.01 61.04 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 124.168 0.987 . . . . 0.0 111.38 -178.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 19.1 ttt -60.64 -46.39 90.49 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 178.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.34 -37.87 81.99 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 118.612 -0.708 . . . . 0.0 110.363 178.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -61.17 -39.89 91.83 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 120.351 1.432 . . . . 0.0 109.329 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -60.98 -42.14 97.78 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 57.6 mt -60.25 -50.03 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 N-CA-C 106.884 -1.524 . . . . 0.0 106.884 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.25 -6.78 7.46 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.499 0.719 . . . . 0.0 112.342 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -96.48 -66.07 0.93 Allowed 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 119.847 1.203 . . . . 0.0 109.959 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -74.4 0.39 14.68 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 115.111 1.522 . . . . 0.0 115.111 -177.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -134.88 -58.86 0.8 Allowed 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 119.003 0.82 . . . . 0.0 109.589 178.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 3.1 t -81.03 -0.82 41.42 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.986 -0.446 . . . . 0.0 112.175 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -124.89 -167.4 12.6 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 125.522 1.535 . . . . 0.0 109.842 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -75.09 -156.56 0.06 OUTLIER 'Trans proline' 0 CA--C 1.544 1.008 0 C-N-CA 124.193 3.262 . . . . 0.0 109.587 179.165 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 13.1 p -66.28 175.7 2.07 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 120.553 -1.342 . . . . 0.0 110.722 178.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 4.5 t -55.55 154.13 6.91 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 123.635 0.774 . . . . 0.0 110.405 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.866 0 N-CA-C 105.969 -2.852 . . . . 0.0 105.969 -178.647 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 tp . . . . . 0 N--CA 1.457 -0.082 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.2 m -57.61 -31.07 65.85 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.206 1.402 . . . . 0.0 108.82 178.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.2 p -57.06 -21.23 29.94 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 127.614 2.366 . . . . 0.0 111.528 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -102.68 -29.55 11.45 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 125.009 1.324 . . . . 0.0 110.851 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.455 HG23 HG21 ' A' ' 26' ' ' ILE . 76.6 mt -61.52 -42.74 95.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 178.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -60.42 -37.55 81.23 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 125.11 1.364 . . . . 0.0 110.711 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 83.0 mtt-85 -74.82 -33.6 62.22 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 121.451 -0.781 . . . . 0.0 110.395 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.52 HD21 ' HG2' ' A' ' 41' ' ' LYS . 64.4 mt -67.52 -30.68 70.41 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 118.662 -0.685 . . . . 0.0 110.703 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 55.6 mtt -61.26 -40.58 94.61 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 177.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.4 t -57.49 -44.0 84.62 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.245 1.418 . . . . 0.0 110.349 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -63.4 -19.65 64.86 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.402 0.681 . . . . 0.0 112.335 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.83 2.02 34.37 Favored Glycine 0 C--N 1.335 0.504 0 CA-C-O 118.313 -1.27 . . . . 0.0 112.935 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -75.47 131.27 40.01 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 106.591 -1.633 . . . . 0.0 106.591 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.7 t -69.38 161.25 29.77 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 118.527 0.603 . . . . 0.0 110.707 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -56.11 -43.49 78.19 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -61.52 -48.01 83.0 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 123.292 0.637 . . . . 0.0 110.604 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -56.71 -47.11 80.65 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.139 0.976 . . . . 0.0 110.296 -179.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.455 HG21 HG23 ' A' ' 13' ' ' ILE . 57.1 mt -57.73 -50.83 76.24 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -60.77 -55.48 32.66 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-O 118.432 -0.794 . . . . 0.0 110.573 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -48.21 -41.26 26.84 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.58 1.082 . . . . 0.0 111.051 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.01 -46.0 69.11 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 118.633 0.651 . . . . 0.0 109.598 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 23.2 mt -57.79 -45.66 85.72 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 118.903 0.774 . . . . 0.0 110.526 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 83.7 t -55.9 -48.94 77.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 C-N-CA 124.727 1.211 . . . . 0.0 111.222 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.518 HD13 ' HA ' ' B' ' 43' ' ' ILE . 32.8 mt -74.67 -32.15 28.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 C-N-CA 123.488 0.715 . . . . 0.0 110.814 -178.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.31 2.76 20.3 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.148 0.979 . . . . 0.0 111.959 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 42.5 m170 59.33 49.96 8.3 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.933 1.693 . . . . 0.0 109.306 -178.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.8 m120 62.47 15.92 8.23 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 129.424 3.09 . . . . 0.0 113.978 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -80.81 105.73 12.27 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.7 tp -62.92 -38.31 81.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 118.879 0.763 . . . . 0.0 112.052 -179.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -62.76 -50.44 71.04 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 119.875 1.216 . . . . 0.0 110.719 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 16.2 ttt -60.55 -44.74 95.8 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 125.161 1.384 . . . . 0.0 108.045 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.1 -41.05 99.3 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 122.841 0.456 . . . . 0.0 110.637 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.52 ' HG2' HD21 ' A' ' 16' ' ' LEU . 43.2 mttm -61.77 -41.12 97.29 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 178.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -59.37 -43.4 92.87 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 123.455 0.702 . . . . 0.0 110.308 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 97.0 mt -54.74 -55.45 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 72.1 mt -56.65 -43.59 80.49 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.34 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 -66.37 -17.69 64.92 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -117.08 -10.96 10.79 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 120.376 1.444 . . . . 0.0 112.195 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -123.56 -47.97 1.95 Allowed 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.0 t . . . . . 0 CA--C 1.547 0.83 0 C-N-CA 123.799 0.84 . . . . 0.0 109.897 179.755 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 9.5 mp . . . . . 0 CA--C 1.531 0.239 0 CA-C-O 118.709 -0.663 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 1.5 m -48.8 -42.43 35.88 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.58 1.552 . . . . 0.0 112.021 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.84 -32.63 74.21 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.562 1.145 . . . . 0.0 113.255 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -78.12 -30.11 49.25 Favored 'General case' 0 C--O 1.23 0.06 0 CA-C-N 118.652 0.66 . . . . 0.0 110.977 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.16 -41.65 93.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 N-CA-C 106.158 -1.793 . . . . 0.0 106.158 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -65.1 -38.04 89.45 Favored 'General case' 0 C--O 1.233 0.214 0 O-C-N 121.865 -0.522 . . . . 0.0 110.195 178.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 84.2 mtt-85 -65.64 -33.49 76.02 Favored 'General case' 0 C--N 1.343 0.315 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.458 HD21 ' HG2' ' B' ' 41' ' ' LYS . 35.6 mt -70.09 -32.7 70.89 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 118.42 -0.8 . . . . 0.0 110.963 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 39.4 mtt -63.14 -36.41 83.53 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 119.254 0.934 . . . . 0.0 108.558 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.34 -35.62 72.19 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.478 1.511 . . . . 0.0 109.932 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -68.39 -31.43 70.78 Favored 'General case' 0 N--CA 1.457 -0.125 0 O-C-N 121.406 -0.809 . . . . 0.0 110.771 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.07 -13.93 6.65 Favored Glycine 0 CA--C 1.523 0.551 0 C-N-CA 125.162 1.363 . . . . 0.0 112.995 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -64.09 136.78 57.57 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.541 1.171 . . . . 0.0 108.627 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 10.2 t -79.63 153.3 29.48 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -52.63 -41.56 63.84 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 123.985 0.914 . . . . 0.0 111.636 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -58.35 -54.84 42.41 Favored 'General case' 0 C--N 1.342 0.252 0 CA-C-N 118.702 0.683 . . . . 0.0 109.562 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -59.65 -41.42 90.49 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.934 0.893 . . . . 0.0 110.533 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 60.4 mt -58.71 -47.5 88.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 CA-C-N 119.582 1.083 . . . . 0.0 108.559 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -62.79 -49.48 74.79 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 118.014 -0.993 . . . . 0.0 108.982 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -54.24 -40.18 67.48 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 120.633 1.561 . . . . 0.0 111.131 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.16 -47.8 81.12 Favored 'General case' 0 N--CA 1.463 0.225 0 O-C-N 121.52 -0.738 . . . . 0.0 109.024 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 20.8 mt -59.09 -45.67 90.26 Favored 'General case' 0 CA--C 1.522 -0.116 0 C-N-CA 123.91 0.884 . . . . 0.0 110.155 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 78.6 t -55.04 -57.69 6.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 C-N-CA 125.245 1.418 . . . . 0.0 109.154 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 39.8 mt -63.65 -23.55 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 C-N-CA 123.315 0.646 . . . . 0.0 111.877 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.13 9.18 29.29 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 119.924 1.238 . . . . 0.0 111.2 179.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 10.5 m170 56.96 51.7 10.27 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.955 1.302 . . . . 0.0 107.907 -178.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 6.9 m120 69.95 -7.2 0.96 Allowed 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 129.469 3.107 . . . . 0.0 113.295 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -65.64 100.8 0.55 Allowed 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 119.985 1.266 . . . . 0.0 113.004 -177.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 4.7 tp -61.65 -40.77 87.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 124.801 1.24 . . . . 0.0 111.632 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -59.36 -49.77 76.52 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 119.53 1.059 . . . . 0.0 109.601 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 16.2 ttt -64.39 -53.09 53.93 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 126.376 1.87 . . . . 0.0 109.123 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.79 -39.87 68.87 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.473 1.109 . . . . 0.0 111.341 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . 0.458 ' HG2' HD21 ' B' ' 16' ' ' LEU . 21.5 mttm -62.34 -40.8 97.59 Favored 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 178.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -61.19 -40.45 93.97 Favored 'General case' 0 C--N 1.339 0.129 0 CA-C-O 118.384 -0.817 . . . . 0.0 109.077 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.518 ' HA ' HD13 ' A' ' 32' ' ' ILE . 8.3 mt -60.55 -57.16 13.22 Favored 'Isoleucine or valine' 0 C--N 1.343 0.32 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 73.7 mt -52.33 -48.74 65.29 Favored 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 124.201 1.0 . . . . 0.0 109.965 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -61.45 -25.47 67.25 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 124.875 1.27 . . . . 0.0 114.174 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.471 ' HG3' HD11 ' A' ' 32' ' ' ILE . 14.6 mm-40 -99.3 -37.9 9.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 119.748 1.158 . . . . 0.0 113.26 -178.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -94.31 -60.39 1.74 Allowed 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 124.739 1.216 . . . . 0.0 111.751 -178.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.541 0.599 0 C-N-CA 123.852 0.861 . . . . 0.0 111.071 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.5 mp . . . . . 0 N--CA 1.458 -0.056 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.2 m -48.41 -49.11 36.32 Favored 'General case' 0 C--N 1.341 0.228 0 C-N-CA 124.797 1.239 . . . . 0.0 110.509 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.8 m -56.28 -37.48 69.9 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.605 1.162 . . . . 0.0 112.528 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -77.23 -28.99 53.9 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 118.966 0.803 . . . . 0.0 110.056 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 98.7 mt -64.2 -45.77 95.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 N-CA-C 104.467 -2.42 . . . . 0.0 104.467 177.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -58.6 -36.56 74.2 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.173 0.989 . . . . 0.0 109.58 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.9 mmt-85 -69.92 -38.18 76.16 Favored 'General case' 0 CA--C 1.518 -0.271 0 O-C-N 121.545 -0.722 . . . . 0.0 110.217 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.1 mt -67.34 -28.75 68.24 Favored 'General case' 0 N--CA 1.454 -0.255 0 O-C-N 121.672 -0.643 . . . . 0.0 109.584 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 17.0 mtt -61.52 -45.37 94.5 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 178.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.3 m -62.02 -29.29 70.17 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.929 0.892 . . . . 0.0 112.221 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -72.79 -14.9 61.63 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.615 1.098 . . . . 0.0 112.23 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.91 25.93 5.99 Favored Glycine 0 CA--C 1.527 0.788 0 CA-C-O 118.635 -1.092 . . . . 0.0 114.523 179.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -110.47 154.93 22.94 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 118.464 1.132 . . . . 0.0 111.463 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.7 m -82.62 158.63 22.95 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.895 1.278 . . . . 0.0 109.046 178.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -67.11 -36.66 82.42 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.826 0.85 . . . . 0.0 109.722 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -57.77 -55.51 34.0 Favored 'General case' 0 C--O 1.224 -0.238 0 C-N-CA 124.177 0.991 . . . . 0.0 108.884 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -53.53 -49.06 68.4 Favored 'General case' 0 N--CA 1.461 0.101 0 C-N-CA 124.53 1.132 . . . . 0.0 109.608 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.9 mt -56.24 -49.17 77.78 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 O-C-N 121.779 -0.575 . . . . 0.0 110.005 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 71.2 mm-40 -63.35 -42.8 98.94 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.892 0.877 . . . . 0.0 111.823 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -63.8 -44.33 93.62 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.966 0.803 . . . . 0.0 109.199 179.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.73 -39.13 93.54 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.2 mt -64.22 -50.63 67.26 Favored 'General case' 0 C--N 1.34 0.182 0 CA-C-O 118.473 -0.775 . . . . 0.0 112.075 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.9 p -61.33 -45.81 97.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 119.034 0.833 . . . . 0.0 110.924 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 72.0 mt -67.43 -31.82 54.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.71 10.19 4.31 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 120.93 -1.106 . . . . 0.0 110.288 178.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 34.4 m170 53.66 46.35 26.14 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.202 1.801 . . . . 0.0 109.178 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 72.33 6.43 5.5 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 128.726 2.81 . . . . 0.0 113.968 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -80.14 106.33 12.08 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 120.243 1.383 . . . . 0.0 109.858 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.5 tp -63.21 -41.34 92.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 123.803 0.841 . . . . 0.0 112.362 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -64.22 -46.58 83.25 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 119.637 1.108 . . . . 0.0 110.224 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 14.8 ttt -61.64 -46.86 87.99 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 178.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.59 -39.21 87.25 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 123.304 0.642 . . . . 0.0 111.099 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -58.63 -36.89 74.8 Favored 'General case' 0 C--O 1.234 0.289 0 O-C-N 121.341 -0.85 . . . . 0.0 109.855 178.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -67.76 -41.89 82.61 Favored 'General case' 0 C--N 1.341 0.222 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 64.7 mt -55.15 -54.71 21.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.3 mt -56.12 -44.74 79.43 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.443 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 -61.11 -35.2 76.37 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -103.9 -7.06 20.73 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 114.954 1.465 . . . . 0.0 114.954 -177.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -119.07 -36.64 3.36 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 119.175 0.898 . . . . 0.0 111.686 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.539 0.555 0 C-N-CA 125.21 1.404 . . . . 0.0 110.417 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 11.2 mp . . . . . 0 N--CA 1.467 0.376 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 7.2 p -52.2 -42.97 63.96 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.708 1.603 . . . . 0.0 109.284 177.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 8.9 m -59.63 -34.79 73.24 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 125.378 1.471 . . . . 0.0 110.714 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -78.33 -16.24 57.91 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 121.21 -0.931 . . . . 0.0 111.257 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 76.5 mt -69.08 -42.48 81.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 N-CA-C 104.149 -2.538 . . . . 0.0 104.149 177.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -58.81 -43.9 90.69 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 125.023 1.329 . . . . 0.0 109.622 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -63.49 -15.59 58.26 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 118.847 -0.597 . . . . 0.0 112.451 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 39.8 mt -98.45 -29.85 12.88 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 119.265 0.939 . . . . 0.0 108.686 178.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 49.7 mtt -58.52 -43.01 89.03 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 118.953 0.797 . . . . 0.0 109.366 178.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.71 6.32 0.5 Allowed 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.813 1.645 . . . . 0.0 114.651 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . 0.463 ' HB2' ' CD2' ' B' ' 21' ' ' TYR . 4.6 mm-40 -106.17 -15.3 14.9 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 120.19 -1.569 . . . . 0.0 110.557 178.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.52 3.29 53.26 Favored Glycine 0 CA--C 1.532 1.154 0 N-CA-C 110.009 -1.236 . . . . 0.0 110.009 -178.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . 0.463 ' CD2' ' HB2' ' B' ' 19' ' ' GLN . 45.1 m-85 -83.95 127.72 34.05 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 104.111 -2.551 . . . . 0.0 104.111 178.282 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 50.7 m -77.63 156.74 30.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 119.289 0.95 . . . . 0.0 111.567 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -51.05 -41.11 59.67 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 126.154 1.782 . . . . 0.0 111.589 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -55.86 -53.98 50.13 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 123.944 0.778 . . . . 0.0 110.187 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . 0.432 ' HA ' ' HE3' ' B' ' 28' ' ' LYS . 39.0 m-20 -58.73 -47.77 83.46 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.629 0.772 . . . . 0.0 109.532 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 40.1 mt -55.02 -48.16 76.14 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -61.88 -46.71 88.21 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.899 1.28 . . . . 0.0 109.947 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.432 ' HE3' ' HA ' ' B' ' 25' ' ' ASP . 7.7 mtmp? -56.6 -42.78 79.31 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 121.085 -1.009 . . . . 0.0 109.542 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.91 -44.38 77.07 Favored 'General case' 0 N--CA 1.452 -0.355 0 O-C-N 121.329 -0.857 . . . . 0.0 110.591 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 41.7 mt -58.19 -50.27 74.11 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 119.368 0.985 . . . . 0.0 112.004 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 9.3 p -61.18 -28.95 44.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 CA-C-N 118.403 0.547 . . . . 0.0 112.348 -179.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 86.4 mt -89.63 -23.65 6.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 O-C-N 121.264 -0.897 . . . . 0.0 110.013 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.22 10.13 28.4 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 120.514 -1.366 . . . . 0.0 111.254 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 12.6 m170 53.74 46.93 24.85 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 122.846 1.308 . . . . 0.0 108.841 -178.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 64.89 5.27 2.79 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 127.119 2.168 . . . . 0.0 112.687 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -70.94 99.88 1.86 Allowed 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 6.7 tp -58.01 -39.0 70.22 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 C-N-CA 125.169 1.388 . . . . 0.0 112.549 -179.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -69.38 -46.36 67.12 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.528 -0.732 . . . . 0.0 110.454 -179.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 16.4 ttt -61.05 -46.55 90.25 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.38 -45.68 92.68 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 123.654 0.782 . . . . 0.0 109.945 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 19.9 mttm -53.63 -39.44 64.98 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 119.207 0.912 . . . . 0.0 109.009 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -69.1 -44.1 73.17 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 118.617 -0.706 . . . . 0.0 110.418 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 71.7 mt -56.29 -51.55 62.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 CA-C-O 122.846 1.308 . . . . 0.0 107.732 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 24.3 mt -59.03 -21.93 59.87 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 125.052 1.341 . . . . 0.0 112.406 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -93.54 -12.45 29.56 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-O 117.047 -1.454 . . . . 0.0 112.915 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -119.58 -6.71 10.19 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 120.693 1.588 . . . . 0.0 113.658 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -118.41 -64.08 1.33 Allowed 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 104.716 -2.328 . . . . 0.0 104.716 178.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.549 0.938 0 C-N-CA 123.405 0.682 . . . . 0.0 109.28 177.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 CA--C 1.536 0.43 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.0 m -48.68 -56.63 7.99 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 125.024 1.33 . . . . 0.0 112.902 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -60.0 -20.95 60.48 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.653 1.181 . . . . 0.0 113.878 -179.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -86.38 -22.97 26.33 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 119.307 0.958 . . . . 0.0 109.554 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.8 mt -61.47 -47.59 92.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 N-CA-C 106.127 -1.805 . . . . 0.0 106.127 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -57.57 -37.41 73.12 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 126.514 1.925 . . . . 0.0 111.151 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -70.32 -37.6 74.77 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.2 mt -69.55 -29.37 66.93 Favored 'General case' 0 C--N 1.337 0.031 0 C-N-CA 124.401 1.081 . . . . 0.0 111.959 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 39.5 mtt -59.62 -29.71 68.2 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 120.012 1.278 . . . . 0.0 111.242 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.0 m -64.7 -23.79 67.36 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 118.517 0.599 . . . . 0.0 111.403 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -85.51 -1.37 57.01 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.382 1.073 . . . . 0.0 111.453 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.45 -15.39 60.09 Favored Glycine 0 CA--C 1.525 0.665 0 C-N-CA 125.507 1.527 . . . . 0.0 114.643 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -58.64 123.46 16.4 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 118.693 1.246 . . . . 0.0 111.226 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.8 m -64.92 143.8 57.71 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.033 0.933 . . . . 0.0 108.818 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -52.01 -45.13 64.44 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 123.634 0.774 . . . . 0.0 111.3 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -59.18 -47.01 86.88 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 117.524 0.147 . . . . 0.0 111.308 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -59.71 -42.59 93.41 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 121.154 -0.966 . . . . 0.0 109.743 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.3 mt -60.4 -41.55 87.79 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -63.05 -50.82 69.11 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.104 0.962 . . . . 0.0 110.098 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.8 mttp -57.53 -45.66 84.78 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.129 0.972 . . . . 0.0 109.753 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.17 -43.42 95.83 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 118.619 -0.705 . . . . 0.0 110.613 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 28.6 mt -62.69 -51.67 66.29 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 119.19 0.905 . . . . 0.0 112.902 -179.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.2 p -57.45 -47.58 84.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 118.121 0.419 . . . . 0.0 110.785 -178.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 72.6 mt -65.77 -38.56 82.52 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.04 7.18 3.45 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 37.0 m170 60.02 48.98 8.03 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 119.92 1.237 . . . . 0.0 108.375 -178.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 48.2 55.97 8.04 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 127.057 2.143 . . . . 0.0 109.73 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -125.07 105.3 9.07 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 123.986 0.914 . . . . 0.0 109.129 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.55 HG13 ' HE3' ' A' ' 41' ' ' LYS . 5.7 tp -61.29 -42.05 92.07 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.329 0 C-N-CA 122.84 0.456 . . . . 0.0 110.923 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -65.12 -18.76 65.57 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 125.355 1.462 . . . . 0.0 113.976 -177.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 14.9 ttt -98.53 -47.67 5.29 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 106.498 -1.667 . . . . 0.0 106.498 179.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.01 -38.77 80.01 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.68 0.792 . . . . 0.0 111.08 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.55 ' HE3' HG13 ' A' ' 37' ' ' ILE . 83.1 mttt -57.77 -41.07 81.27 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 123.99 0.916 . . . . 0.0 109.041 178.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -64.49 -45.83 85.63 Favored 'General case' 0 C--O 1.227 -0.111 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.557 ' HA ' HD13 ' B' ' 32' ' ' ILE . 25.9 mt -56.96 -48.55 81.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.3 mt -61.3 -30.93 70.79 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 123.021 0.528 . . . . 0.0 111.42 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -71.84 -37.18 70.32 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 123.349 0.66 . . . . 0.0 111.549 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.494 ' HG3' HD11 ' B' ' 32' ' ' ILE . 47.7 mm-40 -90.15 -55.7 3.51 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 -178.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -83.25 -10.71 58.4 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -178.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 C--N 1.324 -0.541 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 -179.864 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 CA--C 1.538 0.488 0 CA-C-O 121.097 0.475 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 3.4 p -62.54 -45.83 91.16 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 126.827 2.051 . . . . 0.0 112.277 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 49.4 m -66.31 -24.74 66.59 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.869 0.759 . . . . 0.0 109.292 178.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -76.58 -17.04 59.42 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 118.518 -0.753 . . . . 0.0 109.582 178.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 74.4 mt -65.52 -46.57 89.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 N-CA-C 104.971 -2.233 . . . . 0.0 104.971 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -56.66 -40.01 74.75 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.155 0.582 . . . . 0.0 111.282 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -58.03 -30.52 66.19 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.796 -0.565 . . . . 0.0 110.649 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.411 HD21 ' HE2' ' B' ' 41' ' ' LYS . 67.5 mt -87.96 -26.54 22.62 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 124.722 1.209 . . . . 0.0 110.863 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 34.8 mtt -62.76 -31.75 72.76 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 50.2 m -64.01 -13.48 46.99 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.744 1.218 . . . . 0.0 111.308 177.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -98.05 -15.26 20.1 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.151 1.38 . . . . 0.0 109.946 178.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.29 -2.45 61.14 Favored Glycine 0 CA--C 1.532 1.129 0 C-N-CA 126.611 2.053 . . . . 0.0 114.343 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -57.49 139.13 54.14 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 120.206 2.003 . . . . 0.0 109.451 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.4 m -66.68 145.55 55.44 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 122.501 0.32 . . . . 0.0 110.773 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -55.08 -46.96 75.49 Favored 'General case' 0 C--N 1.333 -0.109 0 C-N-CA 123.901 0.88 . . . . 0.0 109.078 179.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -58.03 -45.13 87.44 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 123.613 0.765 . . . . 0.0 110.006 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -62.14 -45.43 93.47 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 123.851 0.86 . . . . 0.0 109.562 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 47.0 mt -61.44 -44.98 99.49 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -61.13 -45.3 95.24 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.815 1.246 . . . . 0.0 110.013 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 41.7 mttt -59.55 -47.35 85.9 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 120.919 -1.113 . . . . 0.0 108.27 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.76 -43.65 94.2 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 119.01 -0.519 . . . . 0.0 109.931 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 30.9 mt -62.77 -53.51 53.24 Favored 'General case' 0 C--N 1.34 0.179 0 CA-C-O 118.393 -0.813 . . . . 0.0 111.658 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 5.4 p -59.72 -42.83 89.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-N 119.418 1.008 . . . . 0.0 111.555 -178.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.557 HD13 ' HA ' ' A' ' 43' ' ' ILE . 63.9 mt -68.72 -32.44 54.97 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 O-C-N 121.617 -0.677 . . . . 0.0 109.633 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.6 10.39 13.38 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 123.978 0.911 . . . . 0.0 112.354 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 8.8 m170 56.07 40.54 30.24 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 124.824 1.25 . . . . 0.0 110.32 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 74.18 6.19 4.7 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 128.043 2.537 . . . . 0.0 112.913 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -75.2 99.32 3.97 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 119.696 1.135 . . . . 0.0 108.809 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 6.1 tp -55.71 -40.21 59.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 124.881 1.272 . . . . 0.0 112.399 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -64.46 -48.61 74.6 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 125.159 1.383 . . . . 0.0 110.129 -177.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 6.7 ttt -65.46 -46.21 80.7 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 178.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.97 -42.91 86.04 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.36 1.064 . . . . 0.0 110.771 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . 0.411 ' HE2' HD21 ' B' ' 16' ' ' LEU . 18.8 mttt -59.05 -43.77 91.72 Favored 'General case' 0 CA--C 1.517 -0.316 0 O-C-N 121.642 -0.662 . . . . 0.0 109.231 178.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -60.65 -37.65 82.25 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 118.59 -0.719 . . . . 0.0 109.559 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 67.3 mt -60.58 -54.87 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 178.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 68.6 mt -62.38 -6.27 3.14 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.993 1.317 . . . . 0.0 112.521 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -96.66 -21.11 17.81 Favored 'General case' 0 C--N 1.338 0.072 0 O-C-N 120.703 -1.248 . . . . 0.0 112.181 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -124.43 -6.98 7.54 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -178.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -115.1 -74.39 0.61 Allowed 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 178.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 18.8 m . . . . . 0 CA--C 1.543 0.697 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 177.668 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.0 tt . . . . . 0 CA--C 1.531 0.243 0 N-CA-C 110.675 -0.12 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.9 p -54.69 -40.43 69.15 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.811 0.844 . . . . 0.0 110.822 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.8 m -74.78 -5.98 46.41 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.542 1.537 . . . . 0.0 112.671 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -98.1 -31.78 11.95 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 178.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.4 mt -61.63 -48.1 90.3 Favored 'Isoleucine or valine' 0 C--N 1.342 0.276 0 N-CA-C 105.589 -2.004 . . . . 0.0 105.589 177.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -60.18 -30.95 69.68 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.339 0.656 . . . . 0.0 110.893 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -77.12 -33.36 56.83 Favored 'General case' 0 CA--C 1.52 -0.203 0 O-C-N 121.26 -0.9 . . . . 0.0 109.717 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.7 mt -69.62 -31.92 70.33 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 178.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 48.1 mtt -60.56 -32.95 72.0 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 119.145 0.884 . . . . 0.0 110.052 178.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.1 m -59.35 -26.52 65.13 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.925 1.29 . . . . 0.0 111.659 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -78.26 -9.54 59.27 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.254 0.621 . . . . 0.0 111.238 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.09 2.61 48.53 Favored Glycine 0 C--N 1.335 0.512 0 C-N-CA 125.278 1.418 . . . . 0.0 113.517 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -76.55 132.14 39.35 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 118.506 1.153 . . . . 0.0 109.26 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.8 m -75.96 158.17 32.27 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -51.31 -39.7 57.46 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 118.835 -0.603 . . . . 0.0 111.644 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -57.92 -48.3 80.3 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.409 0.684 . . . . 0.0 111.108 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -61.42 -48.42 81.26 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 125.46 1.504 . . . . 0.0 110.045 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.4 mt -61.26 -47.13 94.92 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 O-C-N 121.407 -0.808 . . . . 0.0 109.275 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -58.52 -49.93 75.6 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.564 1.546 . . . . 0.0 109.656 178.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -52.64 -47.51 67.03 Favored 'General case' 0 C--N 1.344 0.359 0 CA-C-N 120.018 1.281 . . . . 0.0 110.628 178.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.42 -38.65 81.17 Favored 'General case' 0 C--O 1.226 -0.142 0 CA-C-O 118.716 -0.659 . . . . 0.0 110.802 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 62.2 mt -66.75 -57.14 7.69 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 118.92 0.782 . . . . 0.0 110.15 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.1 p -57.63 -41.5 79.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 118.877 0.762 . . . . 0.0 111.299 -178.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 95.2 mt -68.23 -25.58 31.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 O-C-N 121.618 -0.677 . . . . 0.0 110.188 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.44 12.97 20.99 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.065 1.346 . . . . 0.0 110.611 178.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 15.0 m170 59.62 27.49 16.72 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.081 1.753 . . . . 0.0 111.024 -178.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 88.32 0.58 0.39 Allowed 'General case' 0 N--CA 1.464 0.255 1 C-N-CA 132.24 4.216 . . . . 0.0 113.202 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -65.32 110.32 2.58 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.76 1.164 . . . . 0.0 110.663 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.1 tp -65.88 -38.47 82.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -68.15 -38.85 82.58 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.331 -0.856 . . . . 0.0 110.813 -178.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 22.1 ttt -69.99 -49.82 47.75 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.34 -39.02 75.04 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.12 0.968 . . . . 0.0 111.207 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -58.17 -45.53 87.34 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 178.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -62.75 -34.54 77.42 Favored 'General case' 0 CA--C 1.527 0.06 0 CA-C-O 118.523 -0.751 . . . . 0.0 111.155 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 57.0 mt -58.54 -53.37 47.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 105.499 -2.037 . . . . 0.0 105.499 178.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 64.7 mt -73.53 27.88 0.07 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 127.05 2.14 . . . . 0.0 111.296 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -135.03 -20.49 1.69 Allowed 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 125.292 1.437 . . . . 0.0 112.575 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -122.43 -6.24 8.74 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.08 0.952 . . . . 0.0 111.373 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -119.88 -90.89 0.57 Allowed 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.446 -0.64 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 7.9 tt . . . . . 0 N--CA 1.47 0.568 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.42 -43.27 93.08 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 125.642 1.577 . . . . 0.0 110.733 178.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 75.0 m -70.18 -40.85 74.43 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.173 0.989 . . . . 0.0 109.336 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -59.19 -38.13 79.1 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.368 1.067 . . . . 0.0 110.503 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 54.8 mt -59.25 -40.42 81.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 178.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -72.53 -32.25 65.95 Favored 'General case' 0 N--CA 1.457 -0.106 0 O-C-N 121.485 -0.76 . . . . 0.0 110.581 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 37.8 mtp85 -63.82 -24.02 67.59 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 119.03 0.832 . . . . 0.0 109.552 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 16.5 mt -82.93 -33.09 26.87 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 124.772 1.229 . . . . 0.0 110.3 178.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 52.8 mtt -51.41 -42.43 61.45 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.938 1.245 . . . . 0.0 110.844 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 24.4 m -56.49 -12.54 1.78 Allowed 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 -86.34 1.07 52.44 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 120.24 1.382 . . . . 0.0 110.403 178.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.82 3.91 58.04 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 126.387 1.946 . . . . 0.0 110.85 -178.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 17.5 m-30 -72.87 147.74 45.09 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 126.766 2.026 . . . . 0.0 112.331 -179.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 16.5 m -99.06 152.79 19.45 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -53.58 -38.97 64.43 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 114.441 1.274 . . . . 0.0 114.441 -178.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -65.1 -41.83 94.57 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 119.288 0.949 . . . . 0.0 111.272 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -55.96 -48.3 76.03 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 48.2 mt -62.39 -47.69 91.86 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -58.79 -43.76 90.54 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 118.405 -0.807 . . . . 0.0 111.586 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -58.99 -49.2 78.78 Favored 'General case' 0 CA--C 1.526 0.054 0 CA-C-N 119.395 0.998 . . . . 0.0 108.876 178.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.83 -41.08 90.56 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 118.791 0.723 . . . . 0.0 110.041 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 20.4 mt -63.22 -55.09 27.87 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 118.401 -0.809 . . . . 0.0 111.164 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 10.0 p -59.93 -43.69 92.83 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-N 119.15 0.886 . . . . 0.0 111.337 -179.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 77.7 mt -65.36 -31.0 51.95 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.47 11.41 7.02 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.347 1.059 . . . . 0.0 111.323 178.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 19.3 m170 63.9 26.57 14.27 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.485 1.514 . . . . 0.0 110.72 -178.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 83.15 5.62 0.84 Allowed 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 131.435 3.894 . . . . 0.0 112.465 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -72.73 107.71 5.33 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.558 -0.714 . . . . 0.0 109.461 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 8.0 tp -61.05 -38.89 80.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 123.987 0.915 . . . . 0.0 113.069 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -68.03 -45.58 73.58 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 119.849 1.204 . . . . 0.0 109.956 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 17.7 ttt -62.84 -44.83 95.1 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.88 -45.81 92.16 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.533 0.733 . . . . 0.0 109.138 178.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -53.96 -38.21 64.75 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 118.082 -0.961 . . . . 0.0 109.731 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 -63.74 -44.66 92.84 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 119.091 0.86 . . . . 0.0 109.415 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 46.0 mt -57.09 -49.71 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 179.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 64.2 mt -73.7 27.32 0.07 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.697 1.999 . . . . 0.0 112.735 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -141.12 -36.61 0.45 Allowed 'General case' 0 C--O 1.235 0.309 0 C-N-CA 126.294 1.837 . . . . 0.0 110.282 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -100.47 -15.26 17.96 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 118.82 0.736 . . . . 0.0 111.978 -179.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -116.83 -75.22 0.58 Allowed 'General case' 0 C--N 1.341 0.22 0 C-N-CA 125.531 1.532 . . . . 0.0 109.629 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 3.5 t . . . . . 0 C--O 1.239 0.501 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 -179.589 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.3 mp . . . . . 0 N--CA 1.452 -0.365 0 CA-C-O 117.882 -1.056 . . . . 0.0 109.533 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.5 m -57.35 -41.34 79.91 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 120.008 1.276 . . . . 0.0 111.005 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.8 m -67.5 -26.18 66.22 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 117.995 0.361 . . . . 0.0 110.48 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -78.94 -30.74 44.82 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 121.221 -0.925 . . . . 0.0 108.97 178.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.416 HG23 HG21 ' A' ' 26' ' ' ILE . 96.6 mt -62.15 -42.48 95.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 104.845 -2.28 . . . . 0.0 104.845 177.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -63.32 -37.47 87.4 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.399 0.679 . . . . 0.0 110.036 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -68.17 -35.17 77.63 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.5 mt -69.98 -44.57 69.15 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 123.86 0.864 . . . . 0.0 108.781 178.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.8 mtt -55.1 -33.65 63.0 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.055 0.843 . . . . 0.0 110.273 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.98 -36.57 68.02 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.927 1.291 . . . . 0.0 111.627 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -76.0 -10.8 59.71 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.725 0.81 . . . . 0.0 112.584 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.78 -11.12 38.3 Favored Glycine 0 CA--C 1.526 0.724 0 C-N-CA 125.355 1.455 . . . . 0.0 111.334 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -51.33 127.08 18.72 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 117.893 0.847 . . . . 0.0 109.521 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.5 m -72.17 145.26 48.19 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 121.245 0.545 . . . . 0.0 110.319 -179.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -56.17 -44.88 79.78 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 125.067 1.347 . . . . 0.0 111.229 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -53.94 -45.76 71.36 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 118.149 0.431 . . . . 0.0 109.888 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -65.62 -47.85 74.26 Favored 'General case' 0 CA--C 1.519 -0.231 0 C-N-CA 123.84 0.856 . . . . 0.0 110.551 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.416 HG21 HG23 ' A' ' 13' ' ' ILE . 59.0 mt -56.19 -46.58 81.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-N 118.58 0.627 . . . . 0.0 109.808 -179.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -63.62 -46.07 87.39 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.705 0.802 . . . . 0.0 111.016 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -60.43 -46.79 88.75 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.67 0.668 . . . . 0.0 109.36 179.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.79 -43.53 85.67 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 118.597 -0.716 . . . . 0.0 109.938 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.1 mt -63.1 -51.24 67.35 Favored 'General case' 0 CA--C 1.521 -0.161 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.6 p -61.38 -43.44 96.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-N 118.262 0.483 . . . . 0.0 111.159 -178.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 62.3 mt -71.13 -33.6 51.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 O-C-N 121.767 -0.583 . . . . 0.0 110.175 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.09 9.5 1.95 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.756 0.707 . . . . 0.0 110.892 178.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.1 m170 57.54 50.92 10.32 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.834 1.654 . . . . 0.0 108.454 -178.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.6 m120 53.09 46.4 26.75 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 126.843 2.057 . . . . 0.0 113.027 179.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -121.48 114.6 21.48 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 124.776 1.23 . . . . 0.0 107.94 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.2 tp -65.18 -40.94 90.39 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 124.172 0.989 . . . . 0.0 112.937 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -67.6 -43.21 81.05 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.864 1.211 . . . . 0.0 110.779 -179.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 8.2 ttt -65.71 -42.8 90.71 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.96 -39.5 90.46 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.2 0.6 . . . . 0.0 111.258 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -55.42 -44.27 76.08 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -60.85 -41.62 96.21 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-O 118.671 -0.68 . . . . 0.0 110.737 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 69.2 mt -58.36 -51.58 69.6 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.7 mt -64.17 -22.9 67.12 Favored 'General case' 0 C--O 1.224 -0.276 0 C-N-CA 123.053 0.541 . . . . 0.0 111.97 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -78.6 -19.69 52.15 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 119.472 1.033 . . . . 0.0 111.841 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -114.52 -49.2 2.83 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -178.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -83.76 -13.2 54.49 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 119.211 0.914 . . . . 0.0 113.084 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.9 t . . . . . 0 N--CA 1.448 -0.56 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 178.639 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 9.8 mp . . . . . 0 CA--C 1.53 0.182 0 CA-C-O 118.648 -0.691 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 16.4 m -62.09 -37.29 84.52 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 119.655 1.116 . . . . 0.0 108.499 178.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 22.2 m -66.49 -35.65 80.8 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.245 1.018 . . . . 0.0 109.522 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -67.46 -29.9 69.47 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 120.884 -1.135 . . . . 0.0 111.453 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.9 mt -62.8 -41.43 92.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 107.054 -1.462 . . . . 0.0 107.054 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -65.08 -41.4 95.06 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 124.099 0.96 . . . . 0.0 110.203 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 24.8 mtm180 -63.68 -30.36 71.47 Favored 'General case' 0 C--N 1.342 0.269 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 13.5 mt -77.11 -39.85 47.99 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-O 118.144 -0.932 . . . . 0.0 109.13 178.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 38.5 mtt -54.94 -42.15 71.93 Favored 'General case' 0 C--N 1.339 0.142 0 CA-C-N 119.537 1.062 . . . . 0.0 109.352 178.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 32.4 t -56.9 -16.34 6.61 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.661 1.184 . . . . 0.0 112.497 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -95.31 1.89 54.56 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 120.29 1.405 . . . . 0.0 112.876 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.93 -11.69 64.18 Favored Glycine 0 CA--C 1.522 0.513 0 C-N-CA 125.27 1.414 . . . . 0.0 113.102 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -61.06 125.08 22.41 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.64 152.33 42.53 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 123.759 0.823 . . . . 0.0 109.854 -179.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -53.76 -42.35 68.12 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 178.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -62.06 -44.64 96.24 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 118.986 -0.53 . . . . 0.0 111.02 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -56.49 -48.93 76.12 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 124.292 1.037 . . . . 0.0 108.551 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 54.9 mt -60.28 -51.68 70.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 C-N-CA 124.239 1.016 . . . . 0.0 110.48 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -63.99 -40.76 97.1 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.226 0.61 . . . . 0.0 111.644 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -63.62 -41.41 98.28 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 121.345 -0.847 . . . . 0.0 108.932 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.27 -40.37 90.08 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 121.444 -0.785 . . . . 0.0 110.083 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 18.8 mt -62.69 -50.19 72.15 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 118.925 0.784 . . . . 0.0 112.835 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 7.9 p -59.26 -35.66 59.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 118.477 0.58 . . . . 0.0 111.313 -178.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 64.2 mt -79.76 -22.4 12.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 O-C-N 121.648 -0.658 . . . . 0.0 110.762 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.45 16.16 14.17 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 120.685 -1.26 . . . . 0.0 111.523 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 53.5 m170 52.97 44.39 30.49 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 122.334 1.064 . . . . 0.0 109.524 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 4.3 m120 66.67 2.87 2.72 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 127.17 2.188 . . . . 0.0 113.346 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -73.57 110.08 7.58 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 119.967 1.258 . . . . 0.0 109.587 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 5.2 tp -59.18 -47.42 90.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 124.291 1.036 . . . . 0.0 112.524 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -60.34 -48.57 81.19 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 118.913 0.779 . . . . 0.0 110.755 -178.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 18.7 ttt -60.69 -46.7 89.38 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.82 94.49 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.305 0.642 . . . . 0.0 111.605 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -57.36 -40.28 77.75 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.543 0.737 . . . . 0.0 109.971 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -62.47 -40.01 95.26 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 118.766 -0.635 . . . . 0.0 109.818 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 35.5 mt -60.29 -50.88 78.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 179.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 70.4 mt -60.82 -20.18 61.16 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.012 0.925 . . . . 0.0 112.545 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -87.25 -17.3 32.87 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.487 1.04 . . . . 0.0 113.099 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -120.26 -17.83 8.16 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -110.2 -57.22 2.23 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 7.1 t . . . . . 0 CA--C 1.541 0.6 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.829 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.1 mp . . . . . 0 N--CA 1.465 0.324 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.401 ' HA ' HD12 ' A' ' 13' ' ' ILE . 1.5 m -56.77 -36.72 70.16 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 125.52 1.528 . . . . 0.0 110.168 178.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.9 m -73.41 -22.45 60.23 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 125.681 1.592 . . . . 0.0 111.779 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -81.63 -33.18 31.58 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.106 0.962 . . . . 0.0 108.773 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.499 HD13 HE22 ' A' ' 27' ' ' GLN . 80.9 mt -57.87 -42.09 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 178.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -60.66 -41.35 94.84 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.426 1.09 . . . . 0.0 110.231 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.8 mtm180 -71.72 -29.65 64.78 Favored 'General case' 0 C--N 1.341 0.228 0 O-C-N 121.742 -0.599 . . . . 0.0 110.464 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 26.2 mt -68.05 -34.03 75.68 Favored 'General case' 0 C--N 1.333 -0.142 0 O-C-N 121.407 -0.808 . . . . 0.0 110.255 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 50.8 mtt -60.78 -31.41 70.77 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.733 0.697 . . . . 0.0 109.972 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -67.87 -17.47 64.5 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.99 1.316 . . . . 0.0 111.51 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -93.89 -0.51 55.65 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.64 1.176 . . . . 0.0 110.964 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.8 -5.89 73.24 Favored Glycine 0 CA--C 1.527 0.787 0 CA-C-O 117.26 -1.855 . . . . 0.0 116.257 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -71.51 150.01 45.24 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 120.457 2.128 . . . . 0.0 110.326 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 63.2 m -78.83 160.91 27.13 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 178.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -60.69 -39.67 89.34 Favored 'General case' 0 N--CA 1.456 -0.161 0 O-C-N 121.411 -0.805 . . . . 0.0 109.614 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -60.04 -45.47 92.72 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 118.313 -0.851 . . . . 0.0 110.717 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -58.13 -47.31 83.71 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.427 HG21 HG23 ' A' ' 13' ' ' ILE . 60.7 mt -57.26 -53.45 43.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 C-N-CA 122.994 0.518 . . . . 0.0 109.998 -179.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.499 HE22 HD13 ' A' ' 13' ' ' ILE . 82.3 mm-40 -61.07 -55.44 32.55 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 118.75 -0.643 . . . . 0.0 110.992 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -49.33 -42.82 42.81 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 124.092 0.957 . . . . 0.0 111.651 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.16 -41.3 77.42 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-O 119.086 -0.483 . . . . 0.0 110.363 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.4 mt -61.01 -45.93 92.82 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 118.706 -0.664 . . . . 0.0 110.9 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.7 t -59.44 -54.08 39.38 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 118.497 0.59 . . . . 0.0 109.656 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.406 HD11 ' HG3' ' B' ' 46' ' ' GLU . 38.3 mt -62.98 -25.39 38.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-O 119.351 -0.357 . . . . 0.0 110.969 -179.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.22 10.27 15.14 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.734 1.152 . . . . 0.0 111.624 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 14.9 m170 58.71 37.97 25.04 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.523 1.529 . . . . 0.0 110.291 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.1 m120 85.09 -3.32 0.9 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 129.528 3.131 . . . . 0.0 113.362 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 57.2 t-20 -73.79 108.69 6.77 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 120.113 1.324 . . . . 0.0 113.348 -178.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.0 tp -64.8 -39.79 86.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.735 1.214 . . . . 0.0 113.225 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.4 -41.57 89.13 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 125.077 1.351 . . . . 0.0 111.084 -177.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 15.1 ttt -68.29 -48.45 64.95 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 178.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.68 -38.21 74.75 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 123.213 0.605 . . . . 0.0 110.013 178.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.2 mttt -59.58 -47.32 86.01 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 178.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -57.52 -41.13 80.27 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 59.2 mt -58.96 -55.1 25.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 179.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 90.3 mt -60.58 -17.39 46.13 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.66 0.784 . . . . 0.0 112.631 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -87.12 -39.36 15.61 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-O 118.195 -0.907 . . . . 0.0 112.865 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -96.18 -13.24 23.66 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -110.65 -75.83 0.61 Allowed 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 CA--C 1.542 0.667 0 C-N-CA 125.791 1.636 . . . . 0.0 110.074 179.78 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 8.7 mp . . . . . 0 CA--C 1.53 0.211 0 CA-C-O 118.988 -0.53 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 1.4 p -56.13 -49.3 74.31 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.932 0.893 . . . . 0.0 110.665 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 12.0 m -60.35 -32.73 71.54 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.99 0.916 . . . . 0.0 111.112 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -71.25 -36.74 71.89 Favored 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 120.766 -1.209 . . . . 0.0 110.225 -179.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 80.3 mt -64.25 -47.82 88.19 Favored 'Isoleucine or valine' 0 C--N 1.34 0.161 0 N-CA-C 106.395 -1.706 . . . . 0.0 106.395 178.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -60.14 -36.36 77.36 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 48.2 mtm180 -72.68 -31.87 65.38 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.882 0.765 . . . . 0.0 110.411 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.429 HD21 ' HG2' ' B' ' 41' ' ' LYS . 31.6 mt -71.13 -27.84 63.86 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 118.302 -0.856 . . . . 0.0 111.978 179.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 62.3 mtt -58.58 -37.01 74.89 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.776 1.171 . . . . 0.0 109.72 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 38.7 t -61.59 -30.73 70.87 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.611 1.165 . . . . 0.0 111.128 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -74.14 -7.98 54.53 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 118.185 -0.912 . . . . 0.0 112.942 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.84 -1.03 55.24 Favored Glycine 0 C--N 1.339 0.702 0 C-N-CA 125.357 1.456 . . . . 0.0 113.498 178.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -78.78 121.91 25.36 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 6.6 m -64.96 153.82 39.41 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -54.69 -38.7 67.33 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 121.703 -0.623 . . . . 0.0 112.188 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -57.87 -50.9 71.75 Favored 'General case' 0 C--O 1.223 -0.292 0 C-N-CA 123.304 0.641 . . . . 0.0 110.719 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.38 -46.96 87.23 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 124.608 1.163 . . . . 0.0 110.578 -179.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 44.5 mt -58.96 -48.53 86.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -60.9 -55.86 28.01 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.978 0.911 . . . . 0.0 110.595 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -52.62 -40.7 63.0 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 124.601 1.16 . . . . 0.0 110.724 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.84 -34.42 77.9 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 118.572 -0.728 . . . . 0.0 110.586 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 71.1 mt -67.98 -45.28 74.61 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 119.995 1.27 . . . . 0.0 111.112 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 22.4 t -53.54 -41.02 44.16 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-O 121.521 0.677 . . . . 0.0 110.088 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 27.4 mt -84.45 -37.01 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 C-N-CA 124.6 1.16 . . . . 0.0 112.527 -178.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.43 0.45 25.73 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.813 1.188 . . . . 0.0 112.227 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 26.6 m170 61.02 53.68 3.61 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 125.806 1.642 . . . . 0.0 107.52 -178.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 57.51 14.25 2.21 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 129.109 2.964 . . . . 0.0 113.624 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -77.72 105.86 9.16 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 5.8 tp -58.66 -45.1 90.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 C-N-CA 123.584 0.754 . . . . 0.0 111.147 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -62.33 -50.85 69.98 Favored 'General case' 0 C--N 1.335 -0.045 0 CA-C-N 119.497 1.044 . . . . 0.0 111.79 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 17.4 ttt -58.35 -45.45 88.15 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 124.18 0.992 . . . . 0.0 108.388 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.99 97.8 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 123.12 0.568 . . . . 0.0 110.096 179.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . 0.429 ' HG2' HD21 ' B' ' 16' ' ' LEU . 56.4 mttt -61.61 -38.2 86.74 Favored 'General case' 0 CA--C 1.517 -0.325 0 O-C-N 121.597 -0.689 . . . . 0.0 110.626 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -62.55 -38.7 91.06 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.705 0.802 . . . . 0.0 109.094 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 86.9 mt -60.28 -48.54 87.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 47.8 mt -71.98 14.58 0.2 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.957 1.303 . . . . 0.0 111.76 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -131.5 10.33 4.78 Favored 'General case' 0 N--CA 1.462 0.157 0 O-C-N 120.435 -1.416 . . . . 0.0 112.028 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.406 ' HG3' HD11 ' A' ' 32' ' ' ILE . 53.3 mm-40 -137.46 -47.34 0.56 Allowed 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 126.475 1.91 . . . . 0.0 108.721 179.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -87.87 -80.05 0.28 Allowed 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 107.713 -1.218 . . . . 0.0 107.713 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 58.1 m . . . . . 0 CA--C 1.536 0.405 0 C-N-CA 123.612 0.765 . . . . 0.0 110.866 179.447 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 tp . . . . . 0 N--CA 1.469 0.522 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.4 p -63.03 -10.65 14.9 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.9 m -66.39 -31.48 72.28 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 177.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -76.25 -24.15 54.53 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.045 0.938 . . . . 0.0 110.841 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.37 -42.93 97.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -62.68 -30.27 71.27 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.316 0.647 . . . . 0.0 109.884 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -79.05 -34.16 44.03 Favored 'General case' 0 N--CA 1.462 0.138 0 O-C-N 121.176 -0.953 . . . . 0.0 109.202 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.408 HD21 ' HG2' ' A' ' 41' ' ' LYS . 61.6 mt -71.12 -29.08 64.81 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 118.369 -0.824 . . . . 0.0 110.208 179.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 35.7 mtt -58.36 -44.7 88.95 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.4 t -62.12 -23.87 66.8 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.508 1.123 . . . . 0.0 111.411 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -75.17 -3.91 35.73 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 120.198 1.363 . . . . 0.0 111.01 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.62 0.3 60.87 Favored Glycine 0 C--N 1.336 0.529 0 C-N-CA 124.942 1.258 . . . . 0.0 112.984 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -81.17 130.97 35.26 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 118.627 1.213 . . . . 0.0 108.074 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.5 m -70.69 154.3 41.99 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 178.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -53.52 -35.2 60.41 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 124.265 1.026 . . . . 0.0 111.576 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -60.29 -53.8 53.3 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.461 1.104 . . . . 0.0 109.45 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.94 -51.34 70.06 Favored 'General case' 0 N--CA 1.462 0.136 0 C-N-CA 124.526 1.13 . . . . 0.0 109.035 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.6 mt -55.01 -49.06 74.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 C-N-CA 122.834 0.454 . . . . 0.0 110.167 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.5 mm100 -60.51 -55.1 37.54 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 118.607 -0.711 . . . . 0.0 109.959 179.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -49.9 -44.94 50.35 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 119.056 0.844 . . . . 0.0 110.987 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.8 -40.71 96.16 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 118.891 -0.576 . . . . 0.0 110.154 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.6 mt -64.05 -52.42 59.5 Favored 'General case' 0 C--O 1.226 -0.146 0 CA-C-N 118.814 0.734 . . . . 0.0 110.031 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.2 t -56.17 -44.72 79.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 118.695 0.68 . . . . 0.0 111.48 -179.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 72.8 mt -73.01 -26.95 23.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 O-C-N 121.42 -0.8 . . . . 0.0 111.151 -179.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.96 12.62 19.05 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 120.928 -1.107 . . . . 0.0 111.251 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 55.6 m170 53.37 48.96 20.75 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 123.469 1.604 . . . . 0.0 109.694 -178.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.8 m120 60.26 9.64 2.02 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 129.76 3.224 . . . . 0.0 113.772 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 64.0 t-20 -72.28 100.49 2.63 Favored 'General case' 0 CA--C 1.528 0.097 0 CA-C-N 119.354 0.979 . . . . 0.0 108.558 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.9 tp -59.14 -34.95 54.99 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 118.46 0.573 . . . . 0.0 111.862 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -64.64 -40.13 94.91 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 119.561 1.073 . . . . 0.0 111.657 -178.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 23.8 ttt -77.2 -43.39 33.85 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 126.713 2.005 . . . . 0.0 108.274 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.45 -43.77 88.97 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.81 0.844 . . . . 0.0 109.803 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.408 ' HG2' HD21 ' A' ' 16' ' ' LEU . 75.1 mttt -58.71 -34.87 71.8 Favored 'General case' 0 N--CA 1.462 0.171 0 O-C-N 121.579 -0.701 . . . . 0.0 111.109 178.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -64.93 -43.97 91.0 Favored 'General case' 0 C--O 1.227 -0.09 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 69.3 mt -54.34 -53.71 27.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 179.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.52 -15.26 49.49 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -107.66 -10.22 15.69 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 120.039 1.291 . . . . 0.0 114.114 -178.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.411 ' HG3' HD11 ' B' ' 32' ' ' ILE . 5.0 mm-40 -102.38 -35.02 8.96 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 124.143 0.977 . . . . 0.0 109.442 179.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -103.88 -76.57 0.59 Allowed 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.935 0.894 . . . . 0.0 110.135 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 CA--C 1.54 0.584 0 C-N-CA 126.426 1.89 . . . . 0.0 112.236 -179.786 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 8.7 tp . . . . . 0 CA--C 1.531 0.248 0 N-CA-C 112.719 0.636 . . . . 0.0 112.719 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 2.0 p -70.13 -25.2 63.37 Favored 'General case' 0 N--CA 1.456 -0.174 0 O-C-N 121.048 -1.033 . . . . 0.0 111.372 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -62.25 -20.01 63.81 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.841 0.746 . . . . 0.0 112.284 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -85.7 -23.45 27.39 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.155 1.382 . . . . 0.0 111.022 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 89.5 mt -61.12 -47.29 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -60.86 -29.6 69.62 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.628 1.171 . . . . 0.0 111.606 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -69.49 -43.83 72.35 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 20.8 mt -66.5 -27.64 67.93 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.731 0.812 . . . . 0.0 111.233 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 33.9 mtt -61.49 -43.17 99.34 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 178.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 9.5 t -72.36 -21.29 61.32 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 122.161 -0.337 . . . . 0.0 110.775 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -74.03 -3.21 27.93 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 120.964 -1.085 . . . . 0.0 110.901 178.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.45 -0.4 59.81 Favored Glycine 0 C--N 1.339 0.703 0 C-N-CA 125.076 1.322 . . . . 0.0 114.246 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -81.9 135.04 35.44 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 118.816 1.308 . . . . 0.0 109.936 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 47.1 m -75.74 152.56 37.39 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.011 -0.736 . . . . 0.0 109.011 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -50.16 -42.65 51.37 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 19.3 mp0 -59.03 -53.52 57.51 Favored 'General case' 0 C--O 1.226 -0.133 0 C-N-CA 123.205 0.602 . . . . 0.0 110.169 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.4 -47.16 76.3 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 124.874 1.27 . . . . 0.0 109.043 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 70.8 mt -58.34 -52.0 64.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 122.946 0.498 . . . . 0.0 109.951 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 -62.46 -42.04 99.19 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 119.155 -0.45 . . . . 0.0 111.577 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -59.17 -47.51 85.04 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 123.296 0.639 . . . . 0.0 109.661 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.37 -40.56 94.76 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 120.472 -0.491 . . . . 0.0 109.821 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 12.0 mt -63.0 -54.41 38.66 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 118.672 -0.68 . . . . 0.0 112.129 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 8.3 p -58.78 -47.03 90.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 118.297 0.499 . . . . 0.0 111.846 -178.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.411 HD11 ' HG3' ' A' ' 46' ' ' GLU . 54.4 mt -64.09 -32.72 58.46 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-O 119.25 -0.405 . . . . 0.0 110.385 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.15 8.03 14.32 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.806 0.73 . . . . 0.0 111.668 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 3.7 m170 56.7 53.57 8.22 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.981 1.712 . . . . 0.0 107.524 -178.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 12.0 m120 67.26 -2.53 1.21 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 128.146 2.579 . . . . 0.0 113.514 -179.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -67.33 104.14 1.43 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 120.545 1.52 . . . . 0.0 110.946 -178.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 4.8 tp -56.36 -43.39 77.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 C-N-CA 125.284 1.433 . . . . 0.0 113.66 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -67.35 -49.48 63.87 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 125.096 1.358 . . . . 0.0 110.318 -178.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 14.3 ttt -61.21 -43.49 98.79 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.87 1.268 . . . . 0.0 108.069 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.68 -43.43 98.83 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.172 0.989 . . . . 0.0 109.935 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -58.69 -39.21 80.08 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 121.426 -0.796 . . . . 0.0 109.069 178.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -61.05 -40.16 92.58 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 118.556 0.616 . . . . 0.0 109.503 179.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 68.0 mt -59.25 -52.23 63.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 178.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 97.5 mt -61.52 -23.23 65.79 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.417 0.687 . . . . 0.0 112.268 179.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -81.24 -42.1 21.24 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 117.635 -1.174 . . . . 0.0 112.24 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -94.29 -15.5 24.42 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 -178.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -113.95 -69.0 0.89 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 119.597 1.089 . . . . 0.0 111.525 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 CA--C 1.537 0.47 0 C-N-CA 123.972 0.909 . . . . 0.0 111.081 -179.06 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.8 mp . . . . . 0 CA--C 1.523 -0.083 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.8 m -54.12 -43.05 70.13 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 119.533 1.061 . . . . 0.0 110.611 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.9 m -62.68 -27.01 68.95 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.149 0.98 . . . . 0.0 111.389 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -82.1 -27.85 32.63 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.052 0.941 . . . . 0.0 110.271 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.472 HG23 HG21 ' A' ' 26' ' ' ILE . 74.5 mt -62.27 -44.81 99.57 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 N-CA-C 105.047 -2.205 . . . . 0.0 105.047 178.006 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -61.69 -35.48 78.11 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.336 -0.853 . . . . 0.0 110.66 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.6 mmp_? -64.0 -46.15 85.8 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.6 mt -66.23 -36.31 82.69 Favored 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 124.928 1.291 . . . . 0.0 111.483 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 49.9 mtt -58.33 -29.84 66.23 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 119.262 0.937 . . . . 0.0 110.398 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -72.64 6.3 2.55 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.547 1.939 . . . . 0.0 113.271 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -115.74 -3.09 12.28 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 126.103 1.761 . . . . 0.0 111.861 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.8 -15.36 55.65 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 125.004 1.288 . . . . 0.0 112.548 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -64.63 119.99 11.56 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 119.187 1.494 . . . . 0.0 109.691 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 59.3 m -71.42 158.98 35.33 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -51.6 -40.24 59.48 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 121.668 -0.645 . . . . 0.0 112.218 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -49.72 -58.97 4.27 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.514 1.126 . . . . 0.0 110.536 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.23 -47.14 87.45 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 126.228 1.811 . . . . 0.0 110.378 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.472 HG21 HG23 ' A' ' 13' ' ' ILE . 60.7 mt -56.52 -47.64 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 119.255 0.934 . . . . 0.0 110.325 -179.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -63.69 -52.43 60.67 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-O 117.566 -1.207 . . . . 0.0 109.34 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -50.23 -41.83 50.72 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.257 1.39 . . . . 0.0 110.725 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.54 -50.14 66.31 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.232 0.613 . . . . 0.0 109.941 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.4 mt -60.92 -45.85 93.01 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 118.812 0.733 . . . . 0.0 111.37 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.3 t -56.21 -55.32 19.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 C-N-CA 126.739 2.016 . . . . 0.0 109.451 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.9 mt -67.53 -22.46 28.66 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.868 0 O-C-N 121.689 -0.632 . . . . 0.0 110.206 -178.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.0 9.07 29.34 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 125.225 1.41 . . . . 0.0 113.086 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 18.8 m170 56.23 40.09 30.07 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 118.652 0.66 . . . . 0.0 109.34 -178.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 66.25 24.88 10.64 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 127.129 2.172 . . . . 0.0 114.632 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -92.05 109.78 21.14 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 177.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.9 tp -68.44 -39.98 81.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-O 118.631 -0.699 . . . . 0.0 112.141 -179.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -57.09 -44.36 83.09 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 119.218 0.917 . . . . 0.0 109.684 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.5 ttt -65.79 -54.92 20.59 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 126.632 1.973 . . . . 0.0 109.003 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.95 -40.34 69.85 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.013 0.525 . . . . 0.0 111.616 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.0 mttm -58.67 -44.13 90.11 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 117.879 -1.057 . . . . 0.0 110.522 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -64.73 -43.6 92.84 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 118.829 0.741 . . . . 0.0 110.152 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.413 HG13 HG21 ' B' ' 32' ' ' ILE . 71.4 mt -58.37 -50.9 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -179.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 82.0 mt -61.87 -43.12 99.49 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 54.3 ttt85 -63.57 -35.35 80.2 Favored 'General case' 0 C--O 1.226 -0.184 0 CA-C-O 118.118 -0.944 . . . . 0.0 111.924 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -85.55 -69.2 0.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 119.721 1.146 . . . . 0.0 112.78 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -65.43 -51.14 62.36 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 125.099 1.36 . . . . 0.0 114.631 -177.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 CA--C 1.539 0.549 0 C-N-CA 125.227 1.411 . . . . 0.0 111.815 -178.633 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mp . . . . . 0 N--CA 1.466 0.339 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 51.1 m -59.25 -42.72 91.79 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 119.975 1.262 . . . . 0.0 111.89 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 9.9 m -63.07 -20.46 65.36 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.137 0.575 . . . . 0.0 111.545 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -88.06 -29.38 20.7 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 123.618 0.767 . . . . 0.0 109.03 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 88.8 mt -65.62 -43.95 93.8 Favored 'Isoleucine or valine' 0 C--N 1.345 0.397 0 N-CA-C 104.184 -2.524 . . . . 0.0 104.184 177.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -56.82 -45.29 82.38 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.425 1.09 . . . . 0.0 109.158 178.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 8.1 mmp_? -61.62 -44.75 96.4 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 21.8 mt -65.49 -29.78 70.48 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.502 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 7.6 mtt -62.76 -42.75 99.83 Favored 'General case' 0 C--N 1.34 0.16 0 CA-C-N 120.361 1.437 . . . . 0.0 108.279 178.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 29.9 t -58.33 -26.11 62.71 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.657 0.783 . . . . 0.0 110.99 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -68.43 -13.39 62.27 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 119.922 -1.736 . . . . 0.0 110.451 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.35 -3.39 56.58 Favored Glycine 0 CA--C 1.526 0.771 0 C-N-CA 126.423 1.963 . . . . 0.0 114.27 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -69.56 165.07 21.86 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 118.927 1.363 . . . . 0.0 112.443 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 66.5 m -80.9 151.84 28.4 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.638 1.575 . . . . 0.0 109.603 178.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -58.09 -45.36 87.29 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 119.324 0.965 . . . . 0.0 110.659 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -55.08 -51.09 67.48 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 124.723 1.209 . . . . 0.0 111.302 -179.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.82 -37.22 73.41 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.937 0.895 . . . . 0.0 110.634 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 75.3 mt -63.3 -48.71 86.11 Favored 'Isoleucine or valine' 0 C--O 1.231 0.082 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -62.52 -45.31 93.58 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-O 119.054 -0.498 . . . . 0.0 110.494 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -58.53 -48.06 82.12 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 123.338 0.655 . . . . 0.0 109.995 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.23 -38.69 91.19 Favored 'General case' 0 C--O 1.226 -0.136 0 CA-C-N 118.984 0.811 . . . . 0.0 110.463 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 19.2 mt -62.0 -52.41 64.09 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 118.349 -0.834 . . . . 0.0 110.814 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 11.1 p -60.46 -48.22 89.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-N 118.761 0.71 . . . . 0.0 111.368 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.413 HG21 HG13 ' A' ' 43' ' ' ILE . 56.8 mt -63.31 -31.02 51.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 CA-C-N 118.868 0.758 . . . . 0.0 109.583 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.31 7.9 10.4 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.305 1.042 . . . . 0.0 111.566 178.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 58.5 m170 55.16 43.61 29.15 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.052 1.341 . . . . 0.0 107.881 -177.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 67.2 8.91 6.55 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 129.127 2.971 . . . . 0.0 113.664 -178.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -74.64 106.28 6.14 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 121.159 1.8 . . . . 0.0 106.749 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 8.8 tp -59.89 -39.71 80.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 124.3 1.04 . . . . 0.0 113.045 -179.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -68.97 -45.06 71.62 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 119.258 0.936 . . . . 0.0 109.09 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 11.4 ttt -59.69 -46.49 88.92 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 178.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.08 97.17 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -56.0 -37.46 69.17 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-O 117.973 -1.013 . . . . 0.0 108.933 178.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -66.28 -51.24 59.42 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.585 1.084 . . . . 0.0 108.341 178.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 65.3 mt -50.01 -52.78 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-O 121.972 0.892 . . . . 0.0 108.742 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 76.5 mt -65.51 -35.36 80.63 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 124.859 1.264 . . . . 0.0 114.179 -178.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 33.1 ttt85 -71.02 -27.04 63.39 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 120.525 1.512 . . . . 0.0 112.648 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -91.88 -78.66 0.4 Allowed 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -57.73 -61.06 2.79 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 125.823 1.649 . . . . 0.0 114.506 -178.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 4.0 t . . . . . 0 CA--C 1.543 0.685 0 CA-C-N 118.822 0.737 . . . . 0.0 110.494 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.6 tp . . . . . 0 N--CA 1.47 0.535 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 61.6 m -57.12 -28.7 62.92 Favored 'General case' 0 C--N 1.342 0.276 0 C-N-CA 124.567 1.147 . . . . 0.0 110.829 178.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.6 -8.92 4.97 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 125.935 1.694 . . . . 0.0 113.17 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -111.46 -25.87 9.38 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.131 1.772 . . . . 0.0 108.918 178.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.463 HG23 HG21 ' A' ' 26' ' ' ILE . 59.0 mt -67.57 -45.41 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 N-CA-C 105.416 -2.068 . . . . 0.0 105.416 177.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -59.71 -28.84 67.67 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.593 0.757 . . . . 0.0 111.353 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -75.76 -38.49 58.33 Favored 'General case' 0 CA--C 1.513 -0.48 0 C-N-CA 123.85 0.86 . . . . 0.0 110.485 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.3 mt -62.15 -38.72 90.07 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 41.4 mtt -60.18 -29.02 68.42 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 118.322 0.51 . . . . 0.0 111.195 179.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 t -61.7 -44.29 97.21 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 124.717 1.207 . . . . 0.0 111.466 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -67.1 -22.88 65.8 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 117.914 -1.041 . . . . 0.0 112.549 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 125.28 13.37 3.56 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 124.56 1.076 . . . . 0.0 113.171 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -83.36 177.07 8.66 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 119.234 1.517 . . . . 0.0 110.623 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.1 t -127.56 152.42 47.64 Favored 'General case' 0 CA--C 1.518 -0.281 0 O-C-N 121.42 -0.8 . . . . 0.0 110.977 -178.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -53.48 -37.72 62.97 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 122.891 0.477 . . . . 0.0 111.414 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -60.63 -61.91 2.25 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 118.495 0.589 . . . . 0.0 110.867 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -56.51 -46.9 80.3 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 123.667 0.787 . . . . 0.0 109.732 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.463 HG21 HG23 ' A' ' 13' ' ' ILE . 57.4 mt -54.37 -48.64 68.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-N 119.972 1.26 . . . . 0.0 110.044 179.244 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -64.83 -39.13 93.08 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 118.462 -0.78 . . . . 0.0 112.035 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -61.54 -42.74 99.28 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 178.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.47 -44.08 88.29 Favored 'General case' 0 C--O 1.226 -0.174 0 O-C-N 121.461 -0.774 . . . . 0.0 109.85 179.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.2 mt -62.2 -32.34 72.98 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 118.014 -0.993 . . . . 0.0 113.393 -179.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.7 p -76.9 -47.33 27.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.145 0 CA-C-N 119.891 1.223 . . . . 0.0 109.747 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 76.4 mt -64.85 -32.73 59.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.49 6.07 9.38 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.968 0.907 . . . . 0.0 111.638 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.9 m170 55.78 51.37 12.47 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.725 1.61 . . . . 0.0 109.473 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.3 m120 64.22 14.38 8.61 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 127.582 2.353 . . . . 0.0 113.363 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -85.69 103.97 14.99 Favored 'General case' 0 C--O 1.232 0.154 0 O-C-N 120.469 -1.394 . . . . 0.0 109.062 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.4 tp -61.55 -37.81 78.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 123.888 0.875 . . . . 0.0 111.876 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -65.93 -51.76 55.73 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 119.475 1.034 . . . . 0.0 109.105 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.408 ' HE2' ' HA ' ' B' ' 33' ' ' ALA . 6.1 ttt -57.66 -47.2 82.95 Favored 'General case' 0 C--N 1.334 -0.072 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 179.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.56 -45.09 92.84 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 122.96 0.504 . . . . 0.0 110.353 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.4 mttm -57.42 -37.58 72.98 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 119.574 1.079 . . . . 0.0 109.935 179.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -65.1 -43.86 90.7 Favored 'General case' 0 C--O 1.226 -0.161 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 178.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 82.8 mt -58.92 -53.28 49.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 22.5 mt -57.6 -29.11 64.22 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.069 0.947 . . . . 0.0 110.428 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -78.11 -63.4 1.4 Allowed 'General case' 0 C--O 1.224 -0.255 0 O-C-N 120.964 -1.085 . . . . 0.0 111.224 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -64.8 -27.34 68.82 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 -177.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -108.31 -53.91 2.57 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 119.141 0.882 . . . . 0.0 113.376 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.451 -0.402 0 C-N-CA 120.401 -0.52 . . . . 0.0 111.486 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 mp . . . . . 0 N--CA 1.465 0.314 0 CA-C-O 118.823 -0.608 . . . . 0.0 111.331 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 40.2 m -60.4 -24.75 65.39 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.025 0.83 . . . . 0.0 110.782 178.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 19.9 m -61.06 -34.6 75.15 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 121.092 -1.005 . . . . 0.0 110.783 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -80.73 -24.98 38.37 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.55 -0.718 . . . . 0.0 110.47 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.428 HG23 HG21 ' B' ' 26' ' ' ILE . 57.5 mt -61.97 -44.63 99.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 N-CA-C 105.55 -2.018 . . . . 0.0 105.55 178.368 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -65.38 -32.42 74.04 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.56 -0.712 . . . . 0.0 111.592 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -69.05 -37.25 78.46 Favored 'General case' 0 C--O 1.232 0.177 0 O-C-N 121.14 -0.975 . . . . 0.0 108.618 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 14.4 mt -68.03 -45.19 74.67 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 43.8 mtt -49.88 -36.71 28.21 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.921 0.888 . . . . 0.0 111.812 179.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -55.22 -27.98 49.93 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.04 1.736 . . . . 0.0 112.85 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -78.9 -8.17 58.62 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.666 1.186 . . . . 0.0 112.057 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.85 11.97 29.06 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.387 1.47 . . . . 0.0 110.255 -178.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -80.58 162.44 24.27 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-N 118.743 1.272 . . . . 0.0 108.862 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 29.2 t -117.65 155.39 29.98 Favored 'General case' 0 CA--C 1.52 -0.186 0 C-N-CA 124.001 0.92 . . . . 0.0 109.59 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -53.49 -36.5 61.76 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.42 1.088 . . . . 0.0 110.34 178.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -57.95 -57.75 11.42 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 122.791 0.436 . . . . 0.0 110.992 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -64.62 -45.14 88.17 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.271 1.029 . . . . 0.0 111.06 -179.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.428 HG21 HG23 ' B' ' 13' ' ' ILE . 35.4 mt -55.09 -48.81 75.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 CA-C-N 119.513 1.051 . . . . 0.0 109.48 179.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -65.79 -45.86 80.85 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.634 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -54.56 -35.19 62.99 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 120.195 1.361 . . . . 0.0 111.335 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.39 -48.57 40.42 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 18.6 mt -53.63 -44.87 69.9 Favored 'General case' 0 C--N 1.338 0.099 0 CA-C-O 118.357 -0.83 . . . . 0.0 110.776 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 93.5 t -55.04 -50.53 62.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 123.804 0.841 . . . . 0.0 110.767 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 40.5 mt -68.5 -31.1 49.79 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 C-N-CA 123.781 0.833 . . . . 0.0 110.409 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.408 ' HA ' ' HE2' ' A' ' 39' ' ' MET . . . -83.13 14.07 3.69 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-O 117.816 -1.088 . . . . 0.0 111.772 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 27.0 m170 55.2 39.24 31.34 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 120.848 1.658 . . . . 0.0 109.303 -178.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 m120 64.79 10.66 6.25 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 127.95 2.5 . . . . 0.0 112.321 -179.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -72.53 104.52 3.87 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 6.4 tp -63.61 -38.12 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 O-C-N 121.645 -0.659 . . . . 0.0 112.356 -179.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -62.37 -49.28 76.16 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 119.074 0.852 . . . . 0.0 109.379 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 8.9 ttt -62.31 -48.45 79.81 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.61 -43.47 84.78 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 121.702 -0.623 . . . . 0.0 110.841 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -56.64 -35.82 68.8 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.593 0.757 . . . . 0.0 109.464 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -67.75 -47.58 68.83 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 26.3 mt -54.52 -58.15 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.006 0.923 . . . . 0.0 108.573 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 15.2 mt -53.72 -41.99 67.62 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 126.87 2.068 . . . . 0.0 110.919 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 54.5 ttt180 -62.38 -40.95 98.13 Favored 'General case' 0 C--O 1.227 -0.105 0 CA-C-N 119.138 0.881 . . . . 0.0 112.079 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -87.95 -58.26 2.63 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 -178.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -72.83 -21.66 60.92 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 116.043 1.868 . . . . 0.0 116.043 -177.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 CA--C 1.536 0.442 0 CA-C-N 118.74 0.7 . . . . 0.0 111.52 -178.87 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.9 mp . . . . . 0 CA--C 1.532 0.27 0 CA-C-O 119.194 -0.431 . . . . 0.0 111.592 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.6 m -51.75 -49.63 62.21 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 125.32 1.448 . . . . 0.0 112.495 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.4 m -70.92 -18.19 62.66 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -179.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -81.71 -30.05 32.73 Favored 'General case' 0 N--CA 1.458 -0.053 0 O-C-N 121.18 -0.95 . . . . 0.0 110.252 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.2 mt -62.37 -40.1 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 N-CA-C 105.516 -2.031 . . . . 0.0 105.516 178.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -59.73 -48.4 81.84 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 53.5 mtm180 -65.39 -23.01 66.86 Favored 'General case' 0 C--N 1.342 0.262 0 O-C-N 121.819 -0.551 . . . . 0.0 111.545 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 26.1 mt -76.83 -33.98 57.91 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 119.848 1.204 . . . . 0.0 108.303 178.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 30.3 mtt -62.01 -33.96 75.32 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 108.199 -1.038 . . . . 0.0 108.199 178.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.2 m -60.14 -39.85 87.77 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.154 1.382 . . . . 0.0 109.725 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -69.67 -8.78 50.68 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.213 1.005 . . . . 0.0 111.86 178.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.54 -6.94 45.73 Favored Glycine 0 CA--C 1.524 0.625 0 C-N-CA 125.58 1.562 . . . . 0.0 114.435 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -62.57 143.09 57.64 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -178.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.8 m -81.64 146.22 30.18 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.265 1.426 . . . . 0.0 107.614 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -54.0 -45.13 71.38 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.445 1.098 . . . . 0.0 111.082 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -57.96 -54.32 48.23 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 123.264 0.626 . . . . 0.0 109.601 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -56.04 -44.97 79.31 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.07 0.548 . . . . 0.0 110.188 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 60.5 mt -58.76 -56.51 16.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 O-C-N 121.168 -0.958 . . . . 0.0 109.755 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -56.46 -45.71 80.71 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 118.707 -0.663 . . . . 0.0 111.874 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -60.96 -42.59 98.57 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.082 0.953 . . . . 0.0 109.597 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.25 -45.55 84.13 Favored 'General case' 0 CA--C 1.528 0.125 0 O-C-N 121.169 -0.957 . . . . 0.0 110.546 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 47.6 mt -61.35 -46.99 87.94 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 114.471 1.285 . . . . 0.0 114.471 -178.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.8 p -61.9 -45.89 97.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 118.109 0.413 . . . . 0.0 109.946 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.585 HD11 ' HG3' ' B' ' 46' ' ' GLU . 87.2 mt -67.27 -37.93 79.99 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 O-C-N 121.942 -0.474 . . . . 0.0 110.2 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.63 2.83 4.62 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 118.585 -0.722 . . . . 0.0 111.817 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 32.8 m170 58.4 59.64 2.91 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.482 1.913 . . . . 0.0 108.7 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 52.29 40.61 29.48 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 126.337 1.855 . . . . 0.0 112.605 178.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -115.98 99.29 7.16 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.6 tp -60.71 -36.22 69.4 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.164 0 C-N-CA 124.525 1.13 . . . . 0.0 111.756 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -67.61 -50.9 55.86 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 123.827 0.851 . . . . 0.0 109.187 -179.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 17.7 ttt -61.06 -46.36 91.0 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.45 -36.71 83.32 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 121.324 -0.86 . . . . 0.0 111.152 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -61.42 -34.09 74.8 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.427 1.012 . . . . 0.0 109.349 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -65.07 -50.81 64.7 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 178.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 53.1 mt -54.3 -56.2 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 C-N-CA 123.992 0.917 . . . . 0.0 109.18 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.0 mt -55.01 -25.35 29.55 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.994 0.917 . . . . 0.0 112.934 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -91.26 -49.03 6.58 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 120.764 1.62 . . . . 0.0 110.35 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -67.77 -28.54 67.7 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 117.952 -1.023 . . . . 0.0 113.47 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -112.73 -21.98 10.94 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.1 m . . . . . 0 CA--C 1.538 0.484 0 CA-C-N 119.487 1.04 . . . . 0.0 112.766 -179.208 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 7.4 mp . . . . . 0 C--O 1.226 -0.174 0 N-CA-C 113.229 0.826 . . . . 0.0 113.229 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 1.8 p -56.73 -59.2 5.37 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 124.584 1.153 . . . . 0.0 110.297 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 18.0 m -61.43 -21.34 64.04 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 122.848 0.459 . . . . 0.0 111.669 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -75.48 -26.6 58.32 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 120.695 -1.253 . . . . 0.0 110.802 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 77.9 mt -66.57 -45.08 89.58 Favored 'Isoleucine or valine' 0 C--N 1.341 0.238 0 N-CA-C 104.36 -2.459 . . . . 0.0 104.36 177.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -61.49 -40.18 93.63 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.911 0.885 . . . . 0.0 108.913 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 32.7 mtm180 -64.98 -33.0 74.99 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 119.133 0.879 . . . . 0.0 109.958 178.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 23.1 mt -70.27 -35.87 74.03 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 118.966 0.803 . . . . 0.0 108.997 178.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 53.9 mtt -56.12 -32.0 63.82 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 118.725 0.693 . . . . 0.0 110.904 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 6.4 m -60.7 -28.62 68.77 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.93 0.892 . . . . 0.0 111.84 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -80.77 -10.29 59.74 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 118.886 0.766 . . . . 0.0 110.719 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.05 3.63 48.39 Favored Glycine 0 CA--C 1.524 0.597 0 C-N-CA 124.883 1.23 . . . . 0.0 112.604 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -65.43 155.34 35.8 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 119.908 1.854 . . . . 0.0 110.189 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 30.8 t -92.25 143.04 26.82 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.727 1.611 . . . . 0.0 108.286 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -55.66 -39.18 70.57 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.754 0.822 . . . . 0.0 110.334 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -60.92 -51.64 68.4 Favored 'General case' 0 C--N 1.339 0.142 0 C-N-CA 122.744 0.418 . . . . 0.0 110.996 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -61.91 -42.01 98.58 Favored 'General case' 0 N--CA 1.46 0.063 0 CA-C-N 117.923 0.329 . . . . 0.0 110.247 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 39.8 mt -61.02 -47.73 92.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-N 118.717 0.689 . . . . 0.0 109.448 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -60.07 -54.45 45.77 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.264 0.626 . . . . 0.0 109.342 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -53.47 -35.65 60.77 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 121.598 -0.688 . . . . 0.0 110.934 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.4 -52.17 29.56 Favored 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 123.696 0.799 . . . . 0.0 109.623 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 24.4 mt -53.95 -46.13 71.48 Favored 'General case' 0 CA--C 1.52 -0.207 0 C-N-CA 124.304 1.042 . . . . 0.0 111.632 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 93.1 t -55.53 -56.84 9.86 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 124.1 0.96 . . . . 0.0 109.458 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 53.0 mt -64.43 -26.44 40.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 C-N-CA 123.905 0.882 . . . . 0.0 111.384 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.42 7.42 25.88 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.571 1.148 . . . . 0.0 111.267 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 19.0 m170 55.12 50.14 15.9 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.764 1.226 . . . . 0.0 109.951 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 54.5 52.7 11.89 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 125.984 1.714 . . . . 0.0 111.275 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -123.71 110.71 15.29 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.636 1.174 . . . . 0.0 108.528 178.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 4.1 tp -63.95 -42.94 97.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 C-N-CA 125.374 1.47 . . . . 0.0 112.186 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -68.38 -40.26 81.47 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 124.491 1.117 . . . . 0.0 111.048 -178.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 13.7 ttt -69.89 -46.27 65.82 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 106.776 -1.564 . . . . 0.0 106.776 178.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.57 -39.71 84.98 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.072 0.549 . . . . 0.0 110.672 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -55.71 -46.45 77.71 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.244 1.018 . . . . 0.0 108.753 178.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -57.82 -47.28 83.08 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 119.116 -0.468 . . . . 0.0 109.775 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 20.8 mt -57.46 -54.12 35.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 95.5 mt -60.93 -14.49 22.86 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.41 1.084 . . . . 0.0 112.63 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -95.16 -33.74 12.52 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 120.494 1.497 . . . . 0.0 110.178 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.585 ' HG3' HD11 ' A' ' 32' ' ' ILE . 68.8 mm-40 -89.72 -39.81 12.92 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 -179.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -92.9 -74.92 0.51 Allowed 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 124.334 1.054 . . . . 0.0 109.062 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 CA--C 1.54 0.56 0 C-N-CA 124.03 0.932 . . . . 0.0 112.684 179.398 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 CA--C 1.532 0.271 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.2 m -62.34 -43.27 99.22 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.362 0.665 . . . . 0.0 110.532 178.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.6 m -75.67 -26.54 57.73 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 118.664 -0.684 . . . . 0.0 110.056 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -65.0 -35.75 82.19 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.58 1.082 . . . . 0.0 108.359 178.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.1 mt -61.82 -41.22 89.86 Favored 'Isoleucine or valine' 0 C--N 1.34 0.172 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 178.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -64.01 -33.44 75.75 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -66.39 -34.76 78.68 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.74 1.154 . . . . 0.0 108.573 177.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.5 mt -69.41 -33.06 72.45 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 118.491 -0.766 . . . . 0.0 109.105 178.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 64.6 mtt -60.8 -35.37 76.3 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 177.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.0 m -66.4 4.95 0.64 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.661 1.584 . . . . 0.0 112.92 179.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -121.35 1.0 10.15 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 126.601 1.96 . . . . 0.0 110.037 178.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.28 -6.61 66.1 Favored Glycine 0 CA--C 1.526 0.737 0 C-N-CA 126.44 1.971 . . . . 0.0 116.078 178.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -70.98 127.41 32.49 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 119.857 1.828 . . . . 0.0 110.779 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.1 m -68.76 145.86 53.43 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.264 0.626 . . . . 0.0 109.347 179.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -55.42 -40.65 71.74 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.657 0.783 . . . . 0.0 113.053 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.4 mp0 -54.18 -47.02 72.5 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.463 1.105 . . . . 0.0 110.187 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -70.26 -47.31 61.83 Favored 'General case' 0 CA--C 1.519 -0.231 0 C-N-CA 126.375 1.87 . . . . 0.0 110.32 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.2 mt -53.92 -46.75 64.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -57.04 -49.85 74.55 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 117.733 -1.127 . . . . 0.0 110.359 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -51.57 -40.89 60.63 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 120.139 1.336 . . . . 0.0 110.861 179.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.03 -47.94 72.75 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-O 118.682 -0.675 . . . . 0.0 110.062 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.97 -44.99 91.61 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 119.145 0.884 . . . . 0.0 110.775 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.8 t -55.15 -55.94 13.8 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 C-N-CA 124.806 1.243 . . . . 0.0 109.769 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.4 mt -67.88 -27.36 37.49 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 123.46 0.704 . . . . 0.0 111.231 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.55 0.44 42.68 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 120.69 -1.256 . . . . 0.0 110.779 178.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 20.1 m170 59.75 51.37 6.24 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.734 1.614 . . . . 0.0 108.391 -178.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m120 57.15 27.4 13.43 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 127.546 2.338 . . . . 0.0 113.028 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -95.97 103.89 15.8 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 106.822 -1.547 . . . . 0.0 106.822 178.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.0 tp -65.41 -37.7 80.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 O-C-N 121.61 -0.681 . . . . 0.0 112.645 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.71 -35.76 77.13 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.795 0.838 . . . . 0.0 110.714 -179.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 15.9 ttt -80.36 -47.35 14.6 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 127.792 2.437 . . . . 0.0 109.032 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.02 -37.75 72.15 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 121.586 -0.696 . . . . 0.0 110.897 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -56.73 -47.55 79.76 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 123.612 0.765 . . . . 0.0 109.36 178.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -60.11 -45.26 93.56 Favored 'General case' 0 CA--C 1.529 0.152 0 O-C-N 123.752 0.658 . . . . 0.0 109.806 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 67.4 mt -53.46 -57.45 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 123.562 0.745 . . . . 0.0 109.526 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.5 mt -59.17 -55.17 38.35 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.071 0.948 . . . . 0.0 111.677 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -58.01 -36.94 73.39 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 114.017 1.118 . . . . 0.0 114.017 -178.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -77.22 -72.9 0.32 Allowed 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 119.227 0.921 . . . . 0.0 109.722 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -61.55 -54.39 43.75 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 115.743 1.756 . . . . 0.0 115.743 -177.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.3 t . . . . . 0 CA--C 1.537 0.46 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 -178.436 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 9.7 mp . . . . . 0 N--CA 1.46 0.071 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 6.2 m -55.12 -35.95 65.21 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.95 1.3 . . . . 0.0 110.304 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 8.3 m -83.25 -12.8 56.4 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.132 0.973 . . . . 0.0 111.734 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -89.25 -33.37 17.0 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 124.481 1.112 . . . . 0.0 108.803 178.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.424 HD13 HE22 ' B' ' 27' ' ' GLN . 35.0 mt -59.65 -39.59 79.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 179.074 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -65.06 -35.15 80.25 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.807 -0.558 . . . . 0.0 110.546 178.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -61.33 -39.53 90.89 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 119.012 0.824 . . . . 0.0 108.918 179.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 12.2 mt -67.95 -33.7 75.16 Favored 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 64.0 mtt -61.72 -36.91 82.32 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 119.259 0.936 . . . . 0.0 108.604 177.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 4.8 m -56.84 -34.54 67.88 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.683 0.674 . . . . 0.0 110.645 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -71.43 -9.81 58.76 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.016 0.825 . . . . 0.0 112.076 178.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.29 -3.34 47.25 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 125.538 1.542 . . . . 0.0 114.9 178.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -71.33 162.83 28.79 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 119.645 1.722 . . . . 0.0 113.043 -179.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 7.8 m -88.01 154.07 20.78 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.768 1.227 . . . . 0.0 109.659 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -61.93 -45.53 93.29 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.979 0.912 . . . . 0.0 112.043 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 -53.49 -51.68 61.99 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 124.081 0.953 . . . . 0.0 110.347 -179.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . 0.625 ' HA ' ' HE2' ' B' ' 28' ' ' LYS . 40.1 m-20 -55.66 -47.84 76.01 Favored 'General case' 0 CA--C 1.521 -0.158 0 C-N-CA 124.033 0.933 . . . . 0.0 109.789 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 57.7 mt -56.72 -50.34 74.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . 0.424 HE22 HD13 ' B' ' 13' ' ' ILE . 81.1 mm-40 -58.33 -43.39 88.23 Favored 'General case' 0 C--N 1.34 0.158 0 CA-C-O 118.289 -0.863 . . . . 0.0 112.162 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.625 ' HE2' ' HA ' ' B' ' 25' ' ' ASP . 24.4 mtmt -57.29 -49.73 75.16 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 179.028 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.95 -41.53 99.54 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 117.919 -1.039 . . . . 0.0 111.478 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -59.25 -52.89 63.73 Favored 'General case' 0 C--N 1.341 0.22 0 CA-C-N 119.994 1.27 . . . . 0.0 111.174 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 8.8 p -61.09 -48.64 88.13 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 O-C-N 123.427 0.454 . . . . 0.0 110.776 -179.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 71.1 mt -60.66 -35.18 62.07 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-O 118.985 -0.531 . . . . 0.0 110.223 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.99 5.99 7.06 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.145 0.978 . . . . 0.0 112.439 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 19.0 m170 63.6 44.31 5.26 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.091 1.756 . . . . 0.0 109.003 -178.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 56.58 50.42 12.87 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 128.257 2.623 . . . . 0.0 111.064 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -121.28 103.26 8.85 Favored 'General case' 0 CA--C 1.521 -0.14 0 C-N-CA 125.402 1.481 . . . . 0.0 109.12 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 10.2 tp -57.68 -40.8 77.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 C-N-CA 124.035 0.934 . . . . 0.0 113.446 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -59.29 -53.43 58.38 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 124.012 0.925 . . . . 0.0 110.226 -178.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 13.3 ttt -64.39 -45.82 85.99 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 126.176 1.791 . . . . 0.0 109.678 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.94 -43.78 94.76 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.265 0.626 . . . . 0.0 111.07 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -55.16 -36.83 66.26 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.436 179.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -68.89 -43.04 76.09 Favored 'General case' 0 N--CA 1.454 -0.269 0 O-C-N 123.633 0.583 . . . . 0.0 109.56 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 68.2 mt -56.92 -49.48 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 39.5 mt -65.13 -5.92 7.85 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.207 1.403 . . . . 0.0 112.86 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -109.21 -34.67 6.51 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 117.504 -1.236 . . . . 0.0 113.614 -178.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -98.23 -8.4 27.42 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.288 0.949 . . . . 0.0 112.273 -179.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -123.84 -58.34 1.58 Allowed 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 123.809 0.844 . . . . 0.0 109.558 178.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 3.4 t . . . . . 0 CA--C 1.541 0.601 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 179.63 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 mp . . . . . 0 N--CA 1.464 0.247 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.5 m -55.93 -38.07 69.79 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.94 0.896 . . . . 0.0 110.058 178.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.6 p -69.05 -37.52 78.59 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 121.808 -0.558 . . . . 0.0 110.539 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -65.98 -28.95 69.28 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.432 0.693 . . . . 0.0 109.596 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 78.5 mt -67.87 -49.76 66.03 Favored 'Isoleucine or valine' 0 C--N 1.338 0.099 0 N-CA-C 106.056 -1.831 . . . . 0.0 106.056 177.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -62.9 -28.01 69.76 Favored 'General case' 0 C--O 1.236 0.355 0 O-C-N 121.999 -0.438 . . . . 0.0 111.347 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -67.87 -44.51 76.91 Favored 'General case' 0 C--N 1.34 0.176 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 178.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.8 mt -65.63 -32.77 74.52 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-O 118.129 -0.938 . . . . 0.0 110.254 178.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 63.3 mtt -58.69 -45.96 88.32 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 106.591 -1.633 . . . . 0.0 106.591 177.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.9 t -62.82 -25.69 68.38 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.344 0.658 . . . . 0.0 111.614 179.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -71.86 -8.7 55.88 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 120.031 1.287 . . . . 0.0 109.542 177.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.75 11.13 25.44 Favored Glycine 0 CA--C 1.53 0.991 0 CA-C-O 117.83 -1.539 . . . . 0.0 116.149 178.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -95.08 167.2 11.53 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.367 1.583 . . . . 0.0 112.325 -179.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.2 m -95.23 151.93 18.81 Favored 'General case' 0 C--O 1.232 0.163 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 178.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -57.0 -39.57 74.92 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.303 0.641 . . . . 0.0 112.422 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -57.28 -51.65 68.53 Favored 'General case' 0 N--CA 1.461 0.112 0 C-N-CA 125.263 1.425 . . . . 0.0 111.904 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -59.22 -41.69 89.24 Favored 'General case' 0 CA--C 1.517 -0.295 0 C-N-CA 123.837 0.855 . . . . 0.0 109.119 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.0 mt -64.06 -50.02 78.94 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -58.99 -42.12 89.27 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 119.991 1.268 . . . . 0.0 110.95 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -63.81 -41.14 97.95 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 120.676 -1.265 . . . . 0.0 109.628 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.91 -38.37 86.1 Favored 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 121.544 -0.722 . . . . 0.0 110.313 179.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -55.85 29.65 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.364 1.066 . . . . 0.0 111.603 -179.197 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -58.17 -45.08 88.8 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 123.279 0.631 . . . . 0.0 111.864 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.444 HD11 ' HG3' ' B' ' 46' ' ' GLU . 74.1 mt -69.5 -25.39 28.83 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 CA-C-N 118.513 0.597 . . . . 0.0 110.995 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.5 15.53 12.18 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 120.968 -1.083 . . . . 0.0 111.514 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.4 m170 53.61 39.21 29.83 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.827 1.194 . . . . 0.0 110.011 -178.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.8 m120 62.77 13.21 6.27 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.273 1.829 . . . . 0.0 112.34 -178.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -78.29 101.42 7.15 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 104.016 -2.587 . . . . 0.0 104.016 177.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.411 HG13 ' HE3' ' A' ' 41' ' ' LYS . 7.6 tp -54.26 -41.79 53.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 124.656 1.182 . . . . 0.0 114.082 -178.414 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -69.55 -37.61 77.12 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 123.75 0.82 . . . . 0.0 111.348 -178.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 13.3 ttt -65.47 -47.57 75.62 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 178.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.04 -43.29 95.43 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.411 ' HE3' HG13 ' A' ' 37' ' ' ILE . 86.1 mttt -57.12 -43.62 82.52 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.588 0.755 . . . . 0.0 109.808 178.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -58.25 -43.88 88.04 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 118.864 -0.589 . . . . 0.0 110.174 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 17.6 mt -63.14 -49.84 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 88.9 mt -70.73 18.61 0.06 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.316 1.446 . . . . 0.0 113.906 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 39.6 ttp180 -140.59 -0.5 1.55 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.354 1.862 . . . . 0.0 110.504 178.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -131.08 -14.49 3.43 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.88 1.672 . . . . 0.0 111.76 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -123.26 -67.53 0.94 Allowed 'General case' 0 C--O 1.233 0.188 0 C-N-CA 126.008 1.723 . . . . 0.0 106.988 178.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.7 t . . . . . 0 CA--C 1.536 0.411 0 N-CA-C 106.11 -1.811 . . . . 0.0 106.11 178.243 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 mp . . . . . 0 N--CA 1.457 -0.089 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.75 -43.73 69.4 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.989 0.813 . . . . 0.0 110.79 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 78.2 p -65.58 -36.55 84.07 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 117.971 0.35 . . . . 0.0 111.242 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -66.73 -32.28 73.47 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.635 -0.665 . . . . 0.0 111.639 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.31 -46.23 97.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -60.69 -33.77 73.36 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 123.163 0.585 . . . . 0.0 111.519 -179.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -68.24 -40.16 82.1 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 178.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 35.1 mt -65.42 -32.79 74.6 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 121.569 -0.707 . . . . 0.0 109.782 178.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 55.0 mtt -60.58 -32.05 71.16 Favored 'General case' 0 C--N 1.343 0.305 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 3.6 t -60.38 -49.09 78.95 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 125.649 1.579 . . . . 0.0 109.892 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -58.73 -33.24 70.0 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.038 0.535 . . . . 0.0 109.562 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 126.89 -2.77 7.42 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 125.221 1.391 . . . . 0.0 114.115 178.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -63.96 135.81 56.81 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 119.191 1.495 . . . . 0.0 110.386 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 17.7 m -74.4 147.24 42.28 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -56.86 -34.56 67.95 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.511 0.724 . . . . 0.0 110.107 179.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -57.09 -55.07 39.54 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.194 0.998 . . . . 0.0 109.396 178.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.49 -50.13 72.68 Favored 'General case' 0 CA--C 1.521 -0.154 0 C-N-CA 124.996 1.319 . . . . 0.0 109.817 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 31.0 mt -57.84 -49.31 81.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 119.515 -0.279 . . . . 0.0 110.55 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -63.92 -43.39 96.04 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 118.894 0.77 . . . . 0.0 112.485 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -63.67 -41.66 98.16 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.17 -46.15 88.49 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 25.4 mt -61.99 -45.14 94.92 Favored 'General case' 0 CA--C 1.522 -0.127 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 -178.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.05 -44.79 97.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 119.225 0.92 . . . . 0.0 110.489 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 69.0 mt -69.23 -35.95 70.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 C-N-CA 123.584 0.753 . . . . 0.0 109.077 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.05 12.56 0.68 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.094 0.958 . . . . 0.0 112.551 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 51.0 m170 53.43 50.05 18.26 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.639 1.576 . . . . 0.0 109.532 -179.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.9 t30 54.92 46.5 24.25 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 127.015 2.126 . . . . 0.0 112.971 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -119.69 107.96 13.87 Favored 'General case' 0 CA--C 1.522 -0.111 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 4.0 tp -63.74 -37.68 80.33 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.243 0 C-N-CA 124.078 0.951 . . . . 0.0 112.235 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -66.84 -49.74 64.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 119.307 0.958 . . . . 0.0 109.449 -178.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 14.6 ttt -59.24 -45.09 92.11 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 107.578 -1.268 . . . . 0.0 107.578 178.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.45 -43.69 98.42 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 178.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -58.16 -35.26 71.3 Favored 'General case' 0 C--N 1.34 0.194 0 CA-C-O 118.112 -0.947 . . . . 0.0 110.24 179.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -63.55 -41.71 98.43 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 118.762 0.71 . . . . 0.0 109.288 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 53.0 mt -62.22 -44.6 99.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 178.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 66.3 mt -76.56 25.46 0.14 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 127.054 2.141 . . . . 0.0 111.683 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 20.1 ttt85 -144.36 0.31 1.02 Allowed 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 125.895 1.678 . . . . 0.0 111.024 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.444 ' HG3' HD11 ' A' ' 32' ' ' ILE . 26.1 mm-40 -132.57 -59.96 0.9 Allowed 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 125.455 1.502 . . . . 0.0 107.093 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -79.19 -73.49 0.33 Allowed 'General case' 0 C--O 1.236 0.393 0 C-N-CA 123.772 0.829 . . . . 0.0 108.77 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.239 0.516 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 178.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 119.421 -0.323 . . . . 0.0 111.247 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 m -57.8 -46.3 84.84 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.291 1.436 . . . . 0.0 110.461 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.1 p -58.71 -32.87 69.58 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.389 1.076 . . . . 0.0 112.325 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -71.71 -28.36 63.64 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 123.298 0.639 . . . . 0.0 110.837 -178.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.6 mt -64.9 -47.72 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 178.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -62.03 -35.57 79.0 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.707 0.803 . . . . 0.0 110.73 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.8 mtp85 -65.67 -34.7 78.82 Favored 'General case' 0 C--N 1.345 0.375 0 C-N-CA 119.045 -1.062 . . . . 0.0 108.641 178.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.1 mt -74.27 -35.64 63.77 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 118.793 0.724 . . . . 0.0 109.362 178.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 36.1 mtt -57.33 -41.9 80.85 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 119.162 0.892 . . . . 0.0 109.006 178.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.0 t -55.1 -35.18 64.34 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.89 1.676 . . . . 0.0 111.224 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -69.99 -22.66 63.12 Favored 'General case' 0 CA--C 1.529 0.148 0 O-C-N 121.35 -0.844 . . . . 0.0 112.601 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.21 12.7 14.84 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.959 1.266 . . . . 0.0 110.632 -178.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -79.4 140.17 37.49 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 118.821 1.31 . . . . 0.0 108.918 179.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.4 m -73.93 143.36 45.75 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 122.857 0.463 . . . . 0.0 110.002 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -54.11 -47.54 71.69 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 123.834 0.854 . . . . 0.0 111.627 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -55.22 -47.64 75.03 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.392 1.077 . . . . 0.0 112.298 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -59.38 -50.18 74.94 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 124.082 0.953 . . . . 0.0 108.665 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 27.9 mt -56.65 -46.47 82.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 43.5 mm-40 -58.12 -50.38 73.67 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.309 0.644 . . . . 0.0 110.84 179.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -57.7 -44.57 85.98 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 118.419 0.554 . . . . 0.0 110.336 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.0 -40.37 97.57 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 118.088 0.403 . . . . 0.0 110.806 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 30.7 mt -64.85 -50.98 64.49 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 -178.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.5 p -59.73 -50.38 80.23 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 O-C-N 123.644 0.59 . . . . 0.0 109.768 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.5 mt -62.91 -35.45 71.31 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 C-N-CA 123.965 0.906 . . . . 0.0 110.264 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.35 4.18 7.68 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.295 0.952 . . . . 0.0 112.631 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 13.7 m170 65.27 44.85 3.1 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.018 1.327 . . . . 0.0 109.517 -179.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.0 m120 62.24 23.82 14.13 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 126.088 1.755 . . . . 0.0 113.284 179.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -98.29 107.74 20.27 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 125.417 1.487 . . . . 0.0 107.422 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 8.6 tp -60.41 -44.42 96.09 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 -178.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -59.84 -54.37 46.97 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 124.044 0.937 . . . . 0.0 109.189 -178.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.4 ttt -56.64 -42.67 79.26 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.444 1.097 . . . . 0.0 109.231 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.7 -39.66 88.16 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.31 0.644 . . . . 0.0 110.899 178.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -59.85 -39.39 85.02 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 121.205 -0.934 . . . . 0.0 109.945 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -60.28 -49.17 78.68 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 179.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 63.1 mt -53.86 -50.37 52.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.8 mt -62.95 -23.71 67.54 Favored 'General case' 0 C--O 1.226 -0.147 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 -179.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -95.43 -42.17 8.61 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 120.255 1.389 . . . . 0.0 112.046 -179.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -73.92 -38.89 64.17 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 118.464 -0.779 . . . . 0.0 112.202 -178.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -99.33 -67.48 0.85 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 119.802 1.183 . . . . 0.0 111.428 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.4 t . . . . . 0 CA--C 1.537 0.48 0 C-N-CA 124.776 1.231 . . . . 0.0 108.894 -179.853 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 8.7 mp . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 15.9 m -59.36 -43.48 92.81 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 124.18 0.992 . . . . 0.0 111.669 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 4.8 p -63.19 -23.07 67.26 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.223 1.009 . . . . 0.0 111.47 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -81.24 -25.83 36.33 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 124.732 1.213 . . . . 0.0 110.513 -178.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 61.6 mt -62.97 -45.45 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 178.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -60.78 -27.67 68.17 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.839 1.256 . . . . 0.0 111.018 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 52.2 mtp85 -77.32 -41.54 40.18 Favored 'General case' 0 C--N 1.34 0.183 0 O-C-N 121.287 -0.883 . . . . 0.0 108.823 178.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 7.1 mt -62.9 -37.15 85.81 Favored 'General case' 0 C--O 1.227 -0.095 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 178.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 40.3 mtt -57.98 -31.43 66.9 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 121.734 -0.604 . . . . 0.0 111.168 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 3.8 t -60.04 -20.5 58.29 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.382 1.073 . . . . 0.0 111.341 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -90.35 -9.21 48.57 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 119.574 1.079 . . . . 0.0 111.531 178.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.67 35.75 6.75 Favored Glycine 0 CA--C 1.529 0.95 0 CA-C-N 120.058 1.299 . . . . 0.0 111.803 -179.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -101.33 137.53 39.55 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 118.501 1.15 . . . . 0.0 110.068 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 67.3 m -67.61 148.68 51.08 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.371 0.605 . . . . 0.0 110.904 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -60.6 -38.99 86.49 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 123.846 0.858 . . . . 0.0 110.478 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -57.56 -57.98 10.29 Favored 'General case' 0 N--CA 1.452 -0.37 0 O-C-N 124.059 0.849 . . . . 0.0 109.489 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -51.97 -50.0 62.14 Favored 'General case' 0 C--N 1.334 -0.07 0 C-N-CA 124.775 1.23 . . . . 0.0 109.777 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 52.3 mt -56.24 -50.58 70.45 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 CA-C-O 118.652 -0.69 . . . . 0.0 110.163 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -60.21 -49.81 76.13 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.951 0.796 . . . . 0.0 110.665 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -54.56 -45.14 73.45 Favored 'General case' 0 N--CA 1.46 0.067 0 C-N-CA 124.522 1.129 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.6 -38.29 89.06 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 118.529 0.604 . . . . 0.0 110.433 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 18.5 mt -63.54 -54.27 38.79 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-O 118.572 -0.728 . . . . 0.0 111.733 -179.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 12.7 p -57.17 -42.72 80.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 118.548 0.613 . . . . 0.0 111.632 -178.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 84.5 mt -71.18 -27.81 30.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 O-C-N 121.914 -0.491 . . . . 0.0 110.385 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.8 11.6 15.07 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.017 -1.052 . . . . 0.0 111.121 178.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 14.7 m170 56.7 40.68 29.07 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-O 122.377 1.084 . . . . 0.0 108.278 -177.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . 0.284 10.5 m-20 66.63 8.51 5.93 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 129.63 3.172 . . . . 0.0 113.523 -179.083 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -70.05 109.46 4.57 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 178.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 8.3 tp -63.38 -42.89 97.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 124.089 0.956 . . . . 0.0 112.056 -178.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -59.47 -50.09 75.28 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.207 1.003 . . . . 0.0 110.52 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 19.8 ttt -62.05 -49.22 76.85 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 125.576 1.55 . . . . 0.0 108.873 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.66 -43.08 80.02 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.677 0.791 . . . . 0.0 110.989 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 26.8 mttm -58.62 -39.42 80.41 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 118.711 -0.661 . . . . 0.0 111.019 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 46.3 m-20 -64.51 -40.5 95.76 Favored 'General case' 0 CA--C 1.528 0.112 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 68.6 mt -57.94 -48.32 84.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 178.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 40.9 mt -66.74 -7.42 20.93 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -109.83 -33.93 6.59 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 120.37 1.441 . . . . 0.0 111.328 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.58 -21.73 22.71 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 117.981 -1.009 . . . . 0.0 112.585 -178.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -114.56 -76.28 0.58 Allowed 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 119.545 1.066 . . . . 0.0 108.126 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.234 0.258 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 179.128 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.448 -0.557 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.5 m -54.91 -40.43 69.84 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 124.521 1.129 . . . . 0.0 111.088 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.8 m -67.91 -24.26 65.19 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.378 0.671 . . . . 0.0 112.289 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -80.79 -28.7 36.25 Favored 'General case' 0 N--CA 1.457 -0.104 0 O-C-N 121.674 -0.641 . . . . 0.0 110.747 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.7 mt -57.06 -47.5 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -61.99 -22.57 65.79 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 122.938 0.495 . . . . 0.0 112.006 -179.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 53.4 mtp180 -79.6 -32.6 41.91 Favored 'General case' 0 C--O 1.232 0.156 0 O-C-N 120.823 -1.173 . . . . 0.0 109.326 178.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.77 -39.0 87.7 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 177.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 58.9 mtt -54.06 -32.62 55.18 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 123.332 0.653 . . . . 0.0 112.61 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.8 m -60.99 -23.38 65.34 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.419 0.687 . . . . 0.0 111.013 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -94.99 5.12 52.84 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 126.003 1.721 . . . . 0.0 111.863 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.98 -9.01 73.23 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 124.729 1.157 . . . . 0.0 115.344 178.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -63.72 129.44 40.15 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 119.087 1.443 . . . . 0.0 109.375 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.6 m -78.39 165.45 23.79 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 108.677 -0.861 . . . . 0.0 108.677 178.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -57.92 -42.52 84.95 Favored 'General case' 0 N--CA 1.462 0.143 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -52.14 -47.87 65.18 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.869 0.868 . . . . 0.0 111.955 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -63.68 -52.54 60.19 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 125.316 1.446 . . . . 0.0 110.475 -179.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.419 ' HA ' HD11 ' A' ' 44' ' ' LEU . 35.9 mt -55.38 -49.47 72.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 124.179 0.991 . . . . 0.0 110.257 -178.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.401 ' O ' HG23 ' A' ' 31' ' ' VAL . 15.2 mm100 -61.25 -50.14 74.27 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 118.455 -0.783 . . . . 0.0 109.592 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -53.34 -43.08 67.39 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 120.197 1.362 . . . . 0.0 111.711 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.8 -46.19 83.07 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 123.02 0.528 . . . . 0.0 109.734 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 29.0 mt -59.81 -47.95 83.65 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 123.738 0.815 . . . . 0.0 110.546 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 27' ' ' GLN . 52.3 t -52.94 -56.69 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 125.259 1.424 . . . . 0.0 109.428 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.427 HD13 ' HA ' ' B' ' 43' ' ' ILE . 39.8 mt -64.87 -32.41 58.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 122.962 0.505 . . . . 0.0 111.589 -178.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.39 8.27 6.49 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 119.093 0.86 . . . . 0.0 111.559 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.2 m170 58.56 40.28 23.88 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.46 1.504 . . . . 0.0 108.484 -178.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.8 m120 69.92 10.58 7.51 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 129.077 2.951 . . . . 0.0 113.711 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -76.45 108.6 9.53 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 178.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 9.7 tp -61.46 -42.21 93.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 -178.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -61.79 -44.75 96.25 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 124.741 1.216 . . . . 0.0 109.633 -178.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 13.4 ttt -67.35 -46.67 72.71 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 125.146 1.378 . . . . 0.0 108.841 179.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.92 97.61 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.32 0.648 . . . . 0.0 110.519 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.9 mttm -59.12 -39.99 84.03 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -63.88 -41.6 97.7 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 118.959 0.799 . . . . 0.0 110.564 178.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 71.6 mt -57.69 -50.74 76.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-N 119.667 1.121 . . . . 0.0 108.187 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.419 HD11 ' HA ' ' A' ' 26' ' ' ILE . 65.2 mt -63.22 -30.54 71.66 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.471 0.708 . . . . 0.0 111.872 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -72.71 -39.5 66.93 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 118.897 0.772 . . . . 0.0 112.379 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -94.58 -31.25 13.96 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 116.593 2.072 . . . . 0.0 116.593 -177.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -97.25 -56.7 2.46 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 120.002 1.274 . . . . 0.0 109.813 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.5 t . . . . . 0 CA--C 1.541 0.616 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.412 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 9.0 mp . . . . . 0 N--CA 1.461 0.107 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 5.9 m -55.88 -17.62 6.87 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 125.078 1.351 . . . . 0.0 114.349 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 69.0 m -96.93 -24.73 15.7 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.767 1.167 . . . . 0.0 110.303 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -86.21 -31.5 21.7 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.249 1.019 . . . . 0.0 110.743 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.437 HG23 HG21 ' B' ' 26' ' ' ILE . 72.4 mt -58.95 -37.82 69.68 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 N-CA-C 107.086 -1.45 . . . . 0.0 107.086 178.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -64.57 -39.9 94.58 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 121.168 -0.958 . . . . 0.0 109.975 178.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 50.7 mtp180 -64.85 -25.92 68.11 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 121.324 -0.86 . . . . 0.0 109.408 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 20.9 mt -81.54 -43.82 18.21 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.346 1.058 . . . . 0.0 108.862 178.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 28.1 mtt -54.22 -42.5 69.89 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 119.748 1.158 . . . . 0.0 110.595 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 58.2 m -64.89 -2.68 2.75 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 179.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -104.65 0.56 28.61 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 125.734 1.614 . . . . 0.0 111.085 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.54 -5.66 54.81 Favored Glycine 0 C--N 1.335 0.475 0 CA-C-O 119.046 -0.864 . . . . 0.0 113.257 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -75.52 163.28 27.54 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 178.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 42.8 m -125.13 156.73 37.88 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 123.649 0.779 . . . . 0.0 110.091 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -51.9 -35.09 44.18 Favored 'General case' 0 CA--C 1.529 0.16 0 O-C-N 121.656 -0.653 . . . . 0.0 112.22 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -59.66 -57.58 12.33 Favored 'General case' 0 C--O 1.236 0.381 0 O-C-N 121.794 -0.566 . . . . 0.0 111.352 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -67.47 -41.38 84.72 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.769 0.828 . . . . 0.0 110.454 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.437 HG21 HG23 ' B' ' 13' ' ' ILE . 80.6 mt -54.58 -53.88 27.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 C-N-CA 123.894 0.878 . . . . 0.0 108.705 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -62.59 -48.91 77.37 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.841 179.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -53.33 -36.79 61.68 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 120.673 1.579 . . . . 0.0 111.709 -179.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.73 -49.22 55.31 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 14.2 mt -54.94 -49.39 71.46 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 124.067 0.947 . . . . 0.0 111.221 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 86.3 t -58.5 -48.22 86.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 124.555 1.142 . . . . 0.0 110.231 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 65.3 mt -69.47 -26.11 30.49 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 O-C-N 121.276 -0.89 . . . . 0.0 110.442 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.84 9.18 19.95 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.591 1.557 . . . . 0.0 111.557 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 32.5 m170 55.67 48.97 17.35 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.331 1.052 . . . . 0.0 109.355 -178.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 7.1 m120 62.19 10.53 3.83 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 128.103 2.561 . . . . 0.0 114.008 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -78.54 102.61 8.0 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 107.324 -1.362 . . . . 0.0 107.324 178.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 7.2 tp -59.98 -39.03 79.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -179.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -65.79 -40.73 92.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.859 0.838 . . . . 0.0 111.045 -178.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 22.1 ttt -68.94 -47.02 66.74 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 179.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.88 -40.31 84.01 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.941 0.896 . . . . 0.0 110.943 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 27.8 mttm -60.95 -38.56 86.29 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 123.614 0.766 . . . . 0.0 109.677 178.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -66.23 -39.49 89.61 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 118.407 -0.806 . . . . 0.0 108.835 178.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.427 ' HA ' HD13 ' A' ' 32' ' ' ILE . 72.3 mt -55.33 -54.1 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 179.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 96.3 mt -60.53 -45.12 95.03 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 123.81 0.844 . . . . 0.0 111.718 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 14.7 ttm-85 -66.72 -29.43 69.42 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 120.546 1.521 . . . . 0.0 113.434 -179.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.407 ' HB2' HD11 ' A' ' 32' ' ' ILE . 20.1 mm-40 -90.3 -37.01 14.36 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 119.65 1.114 . . . . 0.0 113.81 -179.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -97.77 -67.71 0.83 Allowed 'General case' 0 C--O 1.233 0.227 0 CA-C-N 119.183 0.902 . . . . 0.0 109.682 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 20.6 t . . . . . 0 CA--C 1.543 0.702 0 C-N-CA 125.522 1.529 . . . . 0.0 110.613 179.876 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 mp . . . . . 0 CA--C 1.534 0.364 0 CA-C-O 118.599 -0.715 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.4 p -58.23 -47.95 81.91 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 120.447 1.476 . . . . 0.0 109.61 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.59 -24.85 61.81 Favored 'General case' 0 N--CA 1.439 -0.979 0 C-N-CA 129.362 3.065 . . . . 0.0 111.548 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.33 -29.76 26.05 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.612 1.165 . . . . 0.0 110.621 -179.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 53.8 mt -64.72 -52.83 49.46 Favored 'Isoleucine or valine' 0 C--N 1.341 0.236 0 N-CA-C 105.92 -1.881 . . . . 0.0 105.92 178.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -58.8 -35.15 72.37 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.669 0.787 . . . . 0.0 109.66 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -67.43 -39.36 85.43 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 119.137 0.88 . . . . 0.0 110.095 178.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.4 mt -67.61 -33.17 74.45 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 118.491 -0.766 . . . . 0.0 110.653 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.0 mtt -59.61 -33.45 71.5 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 119.042 0.837 . . . . 0.0 111.037 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.9 m -60.91 -24.86 66.32 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.221 0.608 . . . . 0.0 111.832 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -78.57 -20.19 51.11 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.45 -0.781 . . . . 0.0 111.427 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.02 -0.37 27.04 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 125.094 1.33 . . . . 0.0 111.344 -178.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -70.01 127.13 31.77 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 118.675 1.237 . . . . 0.0 108.245 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.3 m -66.99 148.07 52.43 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 122.675 0.39 . . . . 0.0 110.594 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -54.16 -42.7 69.89 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.496 0.718 . . . . 0.0 111.61 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -60.03 -45.26 93.39 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-O 119.14 -0.457 . . . . 0.0 110.814 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -59.2 -50.96 72.01 Favored 'General case' 0 CA--C 1.522 -0.107 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 41.1 mt -57.06 -47.91 82.8 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -58.4 -56.26 24.45 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 118.643 -0.694 . . . . 0.0 109.951 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.5 mtpp -53.3 -45.56 69.01 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 125.043 1.337 . . . . 0.0 110.785 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.18 -44.35 95.13 Favored 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 123.675 0.79 . . . . 0.0 110.27 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 54.1 mt -64.83 -36.02 82.99 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 118.631 -0.699 . . . . 0.0 112.595 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.8 t -63.57 -58.01 9.29 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 179.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 59.1 mt -59.28 -38.41 74.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 125.568 1.547 . . . . 0.0 111.28 -178.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.12 0.7 15.33 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 118.831 0.742 . . . . 0.0 112.193 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 51.8 m170 56.24 57.56 4.9 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 125.342 1.457 . . . . 0.0 109.495 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.2 m120 59.23 18.73 6.83 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 126.631 1.972 . . . . 0.0 113.769 179.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -96.07 101.13 12.75 Favored 'General case' 0 C--O 1.231 0.104 0 O-C-N 121.066 -1.021 . . . . 0.0 108.89 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.8 tp -60.5 -39.18 80.41 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.331 0 C-N-CA 123.337 0.655 . . . . 0.0 111.357 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -64.05 -37.92 89.2 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 119.227 0.922 . . . . 0.0 110.501 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 8.9 ttt -72.85 -49.6 29.18 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 178.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.85 -36.91 75.37 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.831 0.853 . . . . 0.0 111.148 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 43.5 mttt -57.17 -48.36 78.93 Favored 'General case' 0 CA--C 1.517 -0.3 0 C-N-CA 124.741 1.216 . . . . 0.0 108.058 178.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -59.17 -42.65 91.28 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-O 118.922 -0.561 . . . . 0.0 109.713 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 58.1 mt -57.51 -54.51 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 118.88 0.764 . . . . 0.0 109.154 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.4 mt -58.44 -44.8 89.31 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 122.767 0.427 . . . . 0.0 110.679 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -63.76 -19.03 64.65 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 126.15 1.78 . . . . 0.0 112.556 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -112.26 -27.38 8.35 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 114.946 1.462 . . . . 0.0 114.946 -178.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -109.96 -61.61 1.63 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.077 1.351 . . . . 0.0 113.285 -179.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.5 m . . . . . 0 CA--C 1.535 0.397 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 -178.449 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 mp . . . . . 0 C--O 1.226 -0.139 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 1.2 p -51.57 -60.39 3.21 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 126.164 1.786 . . . . 0.0 111.096 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.16 -35.2 78.07 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 125.057 1.343 . . . . 0.0 111.022 179.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -34.01 77.35 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 117.725 -1.131 . . . . 0.0 111.17 -178.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 39.4 mt -63.28 -46.29 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 N-CA-C 107.028 -1.471 . . . . 0.0 107.028 178.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -59.68 -35.73 75.05 Favored 'General case' 0 C--O 1.24 0.574 0 C-N-CA 123.911 0.884 . . . . 0.0 110.893 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 -68.14 -34.11 75.74 Favored 'General case' 0 N--CA 1.456 -0.161 0 O-C-N 121.681 -0.637 . . . . 0.0 109.726 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.428 HD21 ' HE2' ' B' ' 41' ' ' LYS . 42.8 mt -78.31 -37.25 45.11 Favored 'General case' 0 CA--C 1.523 -0.069 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 178.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 37.5 mtt -56.4 -39.98 73.89 Favored 'General case' 0 C--N 1.337 0.065 0 CA-C-N 119.006 0.821 . . . . 0.0 109.526 178.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 56.6 m -61.33 -18.52 58.99 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.434 0.902 . . . . 0.0 113.434 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -81.95 -32.65 30.66 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 119.591 1.087 . . . . 0.0 109.096 178.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.36 -0.16 6.4 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 125.657 1.599 . . . . 0.0 112.83 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -70.69 125.25 26.29 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 118.779 1.289 . . . . 0.0 107.702 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.7 m -65.9 156.71 32.63 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 122.956 0.502 . . . . 0.0 111.183 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -53.04 -49.0 67.19 Favored 'General case' 0 N--CA 1.458 -0.049 0 C-N-CA 123.756 0.822 . . . . 0.0 111.366 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -57.94 -45.11 87.1 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 123.527 0.731 . . . . 0.0 111.657 -179.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -64.52 -45.9 85.21 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 54.1 mt -57.63 -55.55 20.68 Favored 'Isoleucine or valine' 0 C--N 1.341 0.237 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . 0.402 ' O ' HG23 ' B' ' 31' ' ' VAL . 14.1 mm-40 -51.9 -53.96 34.84 Favored 'General case' 0 C--O 1.219 -0.505 0 C-N-CA 124.833 1.253 . . . . 0.0 110.82 179.227 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -54.68 -41.58 70.37 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 120.353 1.433 . . . . 0.0 110.143 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.25 -42.74 93.0 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 178.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 50.7 mt -67.88 2.19 2.15 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.105 1.362 . . . . 0.0 113.198 178.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 27' ' ' GLN . 89.4 t -112.91 -18.67 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 126.454 1.902 . . . . 0.0 110.447 177.249 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 36.1 mt -102.86 -33.95 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 O-C-N 121.071 -1.018 . . . . 0.0 113.3 -178.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.467 ' HB1' ' HB3' ' B' ' 39' ' ' MET . . . -83.89 11.4 7.73 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.801 1.641 . . . . 0.0 111.922 179.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 9.3 m170 52.07 50.91 17.49 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.957 1.703 . . . . 0.0 110.784 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 5.9 m120 59.69 11.38 2.4 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 130.058 3.343 . . . . 0.0 112.015 -179.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -76.82 97.59 4.58 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 106.168 -1.79 . . . . 0.0 106.168 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 5.6 tp -53.68 -42.05 49.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 124.332 1.053 . . . . 0.0 111.186 -178.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -62.8 -39.84 95.51 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 121.351 -0.843 . . . . 0.0 112.285 -178.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . 0.467 ' HB3' ' HB1' ' B' ' 33' ' ' ALA . 6.5 ttt -70.76 -46.02 63.71 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 179.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.85 -39.51 85.44 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.288 0.494 . . . . 0.0 110.95 179.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . 0.428 ' HE2' HD21 ' B' ' 16' ' ' LEU . 80.2 mttt -55.95 -43.49 77.51 Favored 'General case' 0 N--CA 1.461 0.109 0 C-N-CA 124.268 1.027 . . . . 0.0 109.065 178.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -65.03 -39.21 93.03 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 118.665 -0.683 . . . . 0.0 110.499 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 49.9 mt -59.82 -60.87 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 CA-C-N 119.193 0.906 . . . . 0.0 108.845 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 62.5 mt -51.7 -47.85 63.77 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.426 1.491 . . . . 0.0 112.041 -178.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -58.87 -25.17 63.08 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -103.7 -55.85 2.31 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 118.872 0.76 . . . . 0.0 111.207 -179.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -74.09 -21.17 60.02 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 -178.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 CA--C 1.544 0.728 0 C-N-CA 125.931 1.692 . . . . 0.0 109.286 -179.429 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.53 0.203 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.0 p -60.76 -27.57 68.06 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.873 1.215 . . . . 0.0 111.17 178.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.6 m -76.52 -25.7 54.44 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.291 0.636 . . . . 0.0 110.313 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -80.49 -26.82 37.99 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 123.756 0.823 . . . . 0.0 111.21 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.6 mt -57.96 -41.36 80.01 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 178.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -57.58 -41.03 80.3 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 125.294 1.438 . . . . 0.0 111.471 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -68.55 -37.89 80.33 Favored 'General case' 0 C--N 1.341 0.215 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.0 mt -68.04 -35.57 78.48 Favored 'General case' 0 C--O 1.228 -0.056 0 C-N-CA 123.825 0.85 . . . . 0.0 110.804 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 46.9 mtt -57.54 -46.13 84.24 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.931 0.787 . . . . 0.0 108.891 178.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.0 t -58.81 -39.11 80.2 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 122.908 0.483 . . . . 0.0 109.807 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -64.85 -8.13 14.04 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.171 -0.956 . . . . 0.0 112.323 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.97 3.33 59.15 Favored Glycine 0 C--N 1.335 0.479 0 CA-C-O 117.516 -1.714 . . . . 0.0 114.38 178.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -78.85 145.92 33.96 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 120.525 2.162 . . . . 0.0 107.439 179.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.7 m -73.87 154.44 39.44 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 121.495 -0.753 . . . . 0.0 110.671 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -60.15 -43.31 95.85 Favored 'General case' 0 C--O 1.232 0.135 0 O-C-N 122.247 -0.283 . . . . 0.0 111.297 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -58.73 -52.58 65.11 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.34 -54.67 37.22 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.957 1.303 . . . . 0.0 109.03 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 70.1 mt -50.58 -50.93 20.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 124.015 0.926 . . . . 0.0 110.781 -179.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -65.38 -50.65 64.71 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.738 0.415 . . . . 0.0 111.142 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -55.44 -34.29 64.35 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 120.969 -1.082 . . . . 0.0 110.718 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.05 -48.74 77.4 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 178.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 79.1 mt -58.62 -46.45 87.02 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.683 0.793 . . . . 0.0 110.809 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.3 t -52.85 -47.32 52.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 124.27 1.028 . . . . 0.0 110.872 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.1 mt -79.98 -23.45 11.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 C-N-CA 124.065 0.946 . . . . 0.0 111.537 -178.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.12 10.23 22.6 Favored 'General case' 0 N--CA 1.448 -0.553 0 O-C-N 121.061 -1.024 . . . . 0.0 110.848 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 17.2 m170 52.84 46.95 25.74 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.476 1.111 . . . . 0.0 109.212 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 67.06 5.29 4.02 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 128.393 2.677 . . . . 0.0 113.816 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -73.41 103.79 4.19 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 119.315 0.961 . . . . 0.0 109.71 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.8 tp -61.44 -38.69 80.63 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.242 0 C-N-CA 123.642 0.777 . . . . 0.0 112.515 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -67.11 -42.84 83.84 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 123.857 0.863 . . . . 0.0 111.231 -178.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 9.9 ttt -64.84 -50.6 66.03 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 106.689 -1.597 . . . . 0.0 106.689 178.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.3 -41.14 79.29 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.227 1.011 . . . . 0.0 111.256 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.4 mttm -57.33 -41.49 80.08 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 123.849 0.86 . . . . 0.0 109.73 178.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -64.97 -42.66 94.38 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 58.8 mt -57.92 -55.75 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.4 mt -56.84 -36.14 69.64 Favored 'General case' 0 C--O 1.226 -0.183 0 C-N-CA 123.53 0.732 . . . . 0.0 112.516 -179.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -74.92 -29.26 60.92 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -102.42 -23.95 13.89 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 -178.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -102.49 -69.85 0.77 Allowed 'General case' 0 C--O 1.235 0.301 0 C-N-CA 124.497 1.119 . . . . 0.0 108.68 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.2 m . . . . . 0 CA--C 1.542 0.657 0 C-N-CA 123.626 0.771 . . . . 0.0 109.028 178.835 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.445 HD23 HD22 ' B' ' 30' ' ' LEU . 2.7 mp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 117.61 -1.186 . . . . 0.0 114.196 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 13.8 p -56.65 -39.46 73.75 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 120.156 1.343 . . . . 0.0 111.028 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -54.85 -32.21 60.42 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.762 1.625 . . . . 0.0 112.351 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -85.69 -24.92 26.8 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 121.507 -0.746 . . . . 0.0 110.093 179.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 42.3 mt -65.31 -42.27 93.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 N-CA-C 105.896 -1.891 . . . . 0.0 105.896 178.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -58.57 -36.14 73.48 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.481 0.712 . . . . 0.0 110.104 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -72.34 -40.93 67.01 Favored 'General case' 0 C--N 1.34 0.164 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 68.5 mt -65.88 -36.43 83.39 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 53.2 mtt -60.87 -39.14 88.07 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 177.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.89 -38.08 81.24 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.9 0.88 . . . . 0.0 109.573 178.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -69.95 -6.41 32.91 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.957 0.799 . . . . 0.0 111.255 178.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.34 -4.69 67.27 Favored Glycine 0 CA--C 1.522 0.482 0 C-N-CA 125.646 1.594 . . . . 0.0 114.645 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -61.9 145.28 53.27 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 118.96 1.38 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 64.0 m -78.23 144.64 36.05 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 178.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -55.84 -40.82 73.36 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 124.652 1.181 . . . . 0.0 110.963 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -60.04 -54.57 44.42 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -57.94 -42.95 85.95 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 119.124 0.875 . . . . 0.0 110.386 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 64.1 mt -59.0 -54.44 34.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-N 118.983 0.811 . . . . 0.0 109.418 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -62.2 -49.55 75.32 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.77 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -53.81 -39.35 65.44 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 120.634 1.561 . . . . 0.0 110.077 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.14 -50.52 63.71 Favored 'General case' 0 C--O 1.223 -0.331 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.445 HD22 HD23 ' B' ' 9' ' ' LEU . 41.1 mt -60.51 -28.7 68.59 Favored 'General case' 0 C--O 1.231 0.084 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 179.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 43.2 t -70.97 -58.35 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 179.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 47.7 mt -64.28 -29.65 47.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 124.433 1.093 . . . . 0.0 110.93 -178.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.0 1.48 23.75 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.221 -0.924 . . . . 0.0 110.612 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 22.9 m170 56.36 59.35 3.69 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 126.731 2.012 . . . . 0.0 108.775 -179.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 14.9 m120 59.49 16.35 5.18 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.482 1.913 . . . . 0.0 113.56 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -93.25 103.68 15.92 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 120.532 -1.355 . . . . 0.0 108.704 179.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 6.1 tp -63.37 -37.95 80.87 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.253 0 C-N-CA 124.411 1.084 . . . . 0.0 112.546 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -65.95 -45.75 80.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 119.016 0.826 . . . . 0.0 109.999 -178.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 12.1 ttt -64.28 -47.62 78.82 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 125.269 1.428 . . . . 0.0 107.17 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.74 -41.78 96.04 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.751 -0.593 . . . . 0.0 110.938 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -57.36 -35.06 69.46 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 123.698 0.799 . . . . 0.0 109.547 178.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -69.71 -41.13 75.76 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-O 118.406 -0.806 . . . . 0.0 109.588 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 51.7 mt -59.47 -48.58 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 N-CA-C 105.722 -1.955 . . . . 0.0 105.722 178.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 96.7 mt -66.87 2.37 1.45 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.392 1.077 . . . . 0.0 112.728 178.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 20.7 ttt85 -121.03 -2.52 9.68 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 120.079 1.309 . . . . 0.0 112.389 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -137.99 4.39 2.5 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.984 1.314 . . . . 0.0 111.739 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -134.75 -69.3 0.52 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.69 1.596 . . . . 0.0 109.784 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 72.8 m . . . . . 0 CA--C 1.541 0.631 0 C-N-CA 124.429 1.092 . . . . 0.0 108.59 179.384 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.5 tt . . . . . 0 N--CA 1.469 0.517 0 CA-C-O 118.251 -0.881 . . . . 0.0 112.958 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 72.4 m -54.3 -22.89 13.12 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.994 1.27 . . . . 0.0 113.129 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.1 m -71.67 -32.35 67.77 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.761 1.224 . . . . 0.0 110.726 179.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -71.56 -29.3 64.58 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.137 1.375 . . . . 0.0 110.47 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.498 HG23 HG21 ' A' ' 26' ' ' ILE . 43.0 mt -59.88 -45.25 95.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 178.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -63.41 -34.14 77.09 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.094 0.958 . . . . 0.0 110.509 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -72.1 -31.7 66.3 Favored 'General case' 0 C--N 1.346 0.418 0 CA-C-N 118.664 0.665 . . . . 0.0 109.439 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.3 mt -71.32 -39.26 71.5 Favored 'General case' 0 C--O 1.227 -0.099 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 178.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.7 mtt -56.07 -34.59 66.1 Favored 'General case' 0 CA--C 1.53 0.2 0 O-C-N 121.953 -0.467 . . . . 0.0 111.673 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.1 m -68.82 -12.25 61.32 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -99.54 -1.18 38.97 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.52 1.528 . . . . 0.0 112.285 -178.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.5 14.17 35.98 Favored Glycine 0 C--N 1.34 0.781 0 CA-C-O 118.83 -0.983 . . . . 0.0 114.21 179.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -96.7 124.18 40.6 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 118.704 1.252 . . . . 0.0 110.748 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.7 m -70.17 152.82 43.84 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.915 1.286 . . . . 0.0 112.026 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -52.99 -43.27 66.31 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.375 0.67 . . . . 0.0 111.982 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -57.62 -56.39 22.5 Favored 'General case' 0 C--O 1.226 -0.152 0 C-N-CA 124.141 0.976 . . . . 0.0 110.258 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -55.96 -43.71 77.78 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 124.729 1.212 . . . . 0.0 110.037 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.498 HG21 HG23 ' A' ' 13' ' ' ILE . 65.1 mt -57.59 -50.02 78.65 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 CA-C-N 118.755 0.707 . . . . 0.0 109.71 179.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -63.85 -38.82 92.51 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.636 0.653 . . . . 0.0 110.197 178.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -63.73 -42.45 97.89 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 120.705 -1.247 . . . . 0.0 109.472 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.76 -38.98 90.55 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.664 -0.647 . . . . 0.0 109.365 178.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.3 mt -63.62 -54.31 37.88 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 123.747 0.819 . . . . 0.0 111.407 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.5 p -56.7 -48.51 80.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 118.717 0.689 . . . . 0.0 110.566 -179.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 76.6 mt -63.31 -29.33 46.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 122.685 0.394 . . . . 0.0 110.308 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.25 15.05 9.59 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.977 0.911 . . . . 0.0 112.017 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.2 m170 55.7 41.29 30.56 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 119.949 1.25 . . . . 0.0 109.946 -178.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 65.51 6.56 3.83 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 128.216 2.606 . . . . 0.0 113.038 -179.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -70.74 100.77 1.95 Allowed 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.26 1.024 . . . . 0.0 108.619 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.8 tp -54.84 -46.14 75.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 C-N-CA 123.869 0.867 . . . . 0.0 111.586 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -59.82 -45.76 91.36 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 123.057 0.543 . . . . 0.0 111.718 -178.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.8 ttt -65.58 -49.48 68.67 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.917 1.287 . . . . 0.0 107.969 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.14 -38.36 76.4 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.412 0.685 . . . . 0.0 110.776 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -60.45 -42.12 95.52 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -63.02 -42.25 99.76 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 118.502 -0.761 . . . . 0.0 109.366 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 68.1 mt -54.83 -58.58 3.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.3 mt -54.51 -36.37 64.15 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 123.799 0.84 . . . . 0.0 112.349 -179.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 43.8 ttt180 -64.85 -34.39 78.27 Favored 'General case' 0 C--O 1.23 0.064 0 N-CA-C 114.309 1.225 . . . . 0.0 114.309 -179.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -100.28 -33.19 10.51 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 118.865 0.757 . . . . 0.0 112.245 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -89.27 -23.67 22.25 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 115.432 1.642 . . . . 0.0 115.432 -177.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.4 t . . . . . 0 C--O 1.236 0.389 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 -179.939 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 7.2 tt . . . . . 0 CA--C 1.534 0.338 0 CA-C-O 119.169 -0.443 . . . . 0.0 110.099 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 3.3 m -58.12 -38.48 76.59 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 119.1 0.864 . . . . 0.0 111.078 178.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 50.7 m -59.86 -35.18 74.26 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.925 0.784 . . . . 0.0 109.774 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -73.45 -32.62 64.46 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.36 0.664 . . . . 0.0 110.499 179.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 82.1 mt -60.44 -45.09 97.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 CA-C-N 119.757 1.162 . . . . 0.0 109.007 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -60.45 -30.6 69.76 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.249 0.22 . . . . 0.0 111.064 -179.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -68.4 -38.92 81.73 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 121.206 -0.934 . . . . 0.0 109.789 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 20.0 mt -63.01 -30.01 71.27 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 119.057 -0.497 . . . . 0.0 110.551 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 34.7 mtt -63.75 -30.68 71.75 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.26 0.936 . . . . 0.0 110.237 179.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 71.1 m -65.67 -29.19 69.72 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.559 0.618 . . . . 0.0 109.907 178.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -82.91 4.78 24.25 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.834 0.854 . . . . 0.0 111.427 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.74 1.6 85.13 Favored Glycine 0 C--N 1.338 0.662 0 C-N-CA 126.105 1.812 . . . . 0.0 115.082 178.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -72.97 138.72 46.25 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 118.592 1.196 . . . . 0.0 110.571 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 75.7 m -78.3 145.85 35.12 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 124.475 1.11 . . . . 0.0 108.945 179.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -53.48 -41.56 66.34 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.193 0.997 . . . . 0.0 111.615 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -60.45 -47.02 87.93 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 118.6 0.636 . . . . 0.0 110.23 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . 0.564 ' HA ' ' HE3' ' B' ' 28' ' ' LYS . 52.9 m-20 -60.42 -46.16 91.03 Favored 'General case' 0 CA--C 1.521 -0.168 0 C-N-CA 123.862 0.865 . . . . 0.0 108.691 178.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 50.3 mt -57.04 -47.7 83.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -62.15 -50.43 71.9 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 117.869 -1.062 . . . . 0.0 111.26 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.564 ' HE3' ' HA ' ' B' ' 25' ' ' ASP . 43.6 mtmt -55.23 -46.48 75.98 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 124.848 1.259 . . . . 0.0 109.717 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.32 -42.43 98.67 Favored 'General case' 0 C--O 1.223 -0.312 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 24.7 mt -65.16 -29.01 69.81 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-O 117.973 -1.013 . . . . 0.0 111.727 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 39.5 t -72.51 -55.63 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.099 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 178.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 55.5 mt -62.84 -24.71 36.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 C-N-CA 124.79 1.236 . . . . 0.0 112.12 -178.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.06 5.58 40.37 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 120.759 -1.213 . . . . 0.0 110.087 178.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 17.2 m170 54.2 58.51 4.92 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.284 1.834 . . . . 0.0 108.138 -178.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 13.8 m120 60.13 6.94 1.07 Allowed 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 128.293 2.637 . . . . 0.0 113.893 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -82.06 104.31 12.32 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 120.66 -1.275 . . . . 0.0 111.353 -179.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 4.6 tp -60.44 -39.54 81.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 123.644 0.778 . . . . 0.0 112.16 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -59.0 -47.77 84.01 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 119.215 0.916 . . . . 0.0 110.744 -179.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 12.0 ttt -66.33 -46.28 77.4 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 124.858 1.263 . . . . 0.0 108.682 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.65 -39.79 85.57 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.284 0.493 . . . . 0.0 111.333 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -56.77 -45.5 82.07 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -62.88 -37.75 88.14 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-O 118.074 -0.965 . . . . 0.0 111.982 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 68.2 mt -59.2 -57.21 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-N 119.888 1.222 . . . . 0.0 107.868 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 31.2 mt -56.79 -35.0 68.21 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 125.127 1.371 . . . . 0.0 111.026 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 36.4 ttt180 -63.53 -27.3 69.17 Favored 'General case' 0 C--O 1.228 -0.067 0 N-CA-C 114.325 1.232 . . . . 0.0 114.325 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -109.67 -47.82 3.31 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 119.894 1.225 . . . . 0.0 111.324 -178.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -72.63 -59.39 2.74 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 122.976 0.51 . . . . 0.0 111.429 -179.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.536 0.418 0 CA-C-O 122.123 0.963 . . . . 0.0 110.838 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.4 mp . . . . . 0 CA--C 1.531 0.217 0 CA-C-O 118.537 -0.744 . . . . 0.0 112.274 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.6 m -65.0 -29.96 70.92 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 120.232 1.378 . . . . 0.0 109.526 178.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 56.8 m -68.24 -19.73 64.76 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 118.79 0.723 . . . . 0.0 110.542 178.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -78.57 -26.58 45.59 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.045 -1.035 . . . . 0.0 108.834 179.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.49 -45.85 97.78 Favored 'Isoleucine or valine' 0 C--N 1.343 0.304 0 N-CA-C 105.712 -1.959 . . . . 0.0 105.712 178.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -59.74 -28.37 67.3 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.632 0.773 . . . . 0.0 111.105 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -84.91 -34.67 22.49 Favored 'General case' 0 C--N 1.342 0.257 0 CA-C-N 119.037 0.835 . . . . 0.0 110.856 179.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.489 HD21 ' HG2' ' A' ' 41' ' ' LYS . 20.0 mt -69.14 -33.02 72.79 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 118.762 -0.637 . . . . 0.0 110.185 179.047 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.0 mtt -53.34 -44.77 68.76 Favored 'General case' 0 C--N 1.341 0.208 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 m -60.14 1.11 0.12 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 127.249 2.22 . . . . 0.0 115.502 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -111.9 -7.58 14.15 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.604 1.162 . . . . 0.0 110.915 178.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.14 -4.22 31.64 Favored Glycine 0 C--N 1.337 0.631 0 C-N-CA 125.541 1.543 . . . . 0.0 113.901 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -76.79 118.22 19.18 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 118.946 1.373 . . . . 0.0 108.274 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.4 m -66.46 155.89 36.27 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -50.52 -43.92 56.08 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.752 0.821 . . . . 0.0 112.316 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -60.24 -45.24 93.93 Favored 'General case' 0 C--O 1.224 -0.266 0 C-N-CA 123.083 0.553 . . . . 0.0 110.814 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -61.48 -46.49 89.81 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.8 mt -58.8 -46.48 90.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -59.89 -51.39 69.89 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 124.646 1.178 . . . . 0.0 110.535 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.3 mtpt -56.71 -46.09 81.46 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 124.109 0.964 . . . . 0.0 109.453 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.19 -41.49 97.07 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 118.864 0.756 . . . . 0.0 110.458 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 27.6 mt -61.73 -54.4 43.08 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 118.754 0.706 . . . . 0.0 111.844 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.6 p -57.49 -39.53 69.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 CA-C-N 118.661 0.664 . . . . 0.0 111.646 -178.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.435 HD11 ' HG3' ' B' ' 46' ' ' GLU . 66.8 mt -71.39 -33.18 49.13 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 O-C-N 121.425 -0.797 . . . . 0.0 110.078 179.514 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.31 4.05 32.85 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.177 1.391 . . . . 0.0 111.807 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 21.7 m170 58.48 53.36 6.28 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.488 1.515 . . . . 0.0 108.474 -178.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 44.5 t30 62.42 6.01 1.8 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 127.817 2.447 . . . . 0.0 114.001 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -75.06 103.65 5.33 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 119.106 0.867 . . . . 0.0 108.717 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 8.6 tp -60.88 -40.42 85.18 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 123.27 0.628 . . . . 0.0 112.616 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.42 -40.26 95.98 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 119.284 0.947 . . . . 0.0 111.096 -178.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 21.1 ttt -74.05 -46.96 39.98 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 125.174 1.39 . . . . 0.0 108.204 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.72 -38.57 78.64 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.228 1.011 . . . . 0.0 110.568 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.489 ' HG2' HD21 ' A' ' 16' ' ' LEU . 69.8 mttt -59.57 -43.09 93.7 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 118.14 -0.934 . . . . 0.0 109.468 178.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -60.0 -44.4 94.57 Favored 'General case' 0 N--CA 1.458 -0.031 0 CA-C-O 118.555 -0.736 . . . . 0.0 109.704 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 63.7 mt -53.94 -55.91 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.4 mt -58.84 -41.1 86.14 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 123.499 0.719 . . . . 0.0 112.902 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -73.73 -6.83 49.32 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 116.103 1.89 . . . . 0.0 116.103 -178.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.533 ' HB3' ' HE3' ' B' ' 28' ' ' LYS . 44.1 mm-40 -120.13 -40.42 2.72 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -179.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -92.24 -31.0 15.59 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 119.228 0.922 . . . . 0.0 111.417 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.2 m . . . . . 0 C--O 1.239 0.548 0 C-N-CA 124.823 1.249 . . . . 0.0 108.064 179.335 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 9.8 mp . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 15.8 m -55.01 -38.36 67.79 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 124.801 1.241 . . . . 0.0 109.837 178.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.78 -41.79 64.65 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.531 1.532 . . . . 0.0 110.3 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -63.18 -38.73 92.33 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.4 1.08 . . . . 0.0 110.243 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 50.3 mt -58.18 -41.67 81.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 C-N-CA 124.803 1.241 . . . . 0.0 108.817 179.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -65.9 -25.35 67.12 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 121.759 -0.588 . . . . 0.0 111.576 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -80.98 -26.14 36.78 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 119.359 0.981 . . . . 0.0 109.534 178.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 14.7 mt -68.56 -37.01 79.55 Favored 'General case' 0 C--O 1.232 0.16 0 O-C-N 121.378 -0.826 . . . . 0.0 109.076 179.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 54.4 mtt -55.8 -40.12 72.26 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 123.648 0.779 . . . . 0.0 109.833 178.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 2.7 m -57.94 -18.91 26.43 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.529 1.531 . . . . 0.0 112.9 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -93.39 -22.41 18.94 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 119.531 1.059 . . . . 0.0 110.832 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.52 -20.81 5.47 Favored Glycine 0 C--N 1.337 0.637 0 C-N-CA 124.502 1.048 . . . . 0.0 114.226 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -58.04 122.02 12.03 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 9.7 m -68.78 158.24 34.76 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.967 0.413 . . . . 0.0 110.289 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -55.66 -45.2 77.75 Favored 'General case' 0 N--CA 1.455 -0.201 0 O-C-N 121.676 -0.64 . . . . 0.0 111.72 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -62.02 -39.8 93.53 Favored 'General case' 0 N--CA 1.457 -0.093 0 CA-C-O 118.938 -0.553 . . . . 0.0 111.101 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -63.54 -47.59 80.97 Favored 'General case' 0 CA--C 1.52 -0.175 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 53.9 mt -58.47 -51.76 67.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -57.06 -44.12 82.74 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 118.688 0.676 . . . . 0.0 110.473 179.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.533 ' HE3' ' HB3' ' A' ' 46' ' ' GLU . 34.2 mtpt -60.0 -46.59 88.98 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 123.699 0.8 . . . . 0.0 109.727 179.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.75 -46.5 87.76 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.566 -0.709 . . . . 0.0 109.597 179.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -57.96 -56.8 17.37 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.58 0.752 . . . . 0.0 111.718 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 6.0 p -56.09 -47.31 80.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 118.228 0.467 . . . . 0.0 111.901 -178.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 88.9 mt -65.12 -33.78 66.08 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 CA-C-O 119.018 -0.515 . . . . 0.0 110.034 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.93 12.48 1.35 Allowed 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.055 0.843 . . . . 0.0 111.171 178.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 19.9 m170 60.52 34.88 20.29 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.55 1.54 . . . . 0.0 108.401 -178.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 61.2 t30 76.32 4.97 3.67 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 129.748 3.219 . . . . 0.0 113.364 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -75.34 105.25 6.27 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 120.465 -1.397 . . . . 0.0 109.427 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 6.6 tp -57.48 -39.4 68.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 125.218 1.407 . . . . 0.0 113.463 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -65.4 -47.1 77.45 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 124.148 0.979 . . . . 0.0 110.13 -178.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 15.2 ttt -65.83 -41.65 91.52 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 125.636 1.574 . . . . 0.0 108.174 179.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.86 -36.08 83.19 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.236 1.015 . . . . 0.0 111.218 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -61.91 -40.09 94.26 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -62.4 -40.34 96.2 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-O 118.522 -0.751 . . . . 0.0 109.407 178.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 69.9 mt -58.13 -55.88 19.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 62.1 mt -55.56 -49.24 73.21 Favored 'General case' 0 C--O 1.223 -0.33 0 C-N-CA 123.136 0.575 . . . . 0.0 110.968 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 33.1 ttm-85 -61.36 -41.51 97.19 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.435 ' HG3' HD11 ' A' ' 32' ' ' ILE . 65.6 mm-40 -79.64 -31.4 41.54 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 115.826 1.788 . . . . 0.0 115.826 -177.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -107.17 -51.18 2.96 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 119.56 1.073 . . . . 0.0 112.967 -178.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 14.0 m . . . . . 0 CA--C 1.537 0.443 0 C-N-CA 125.252 1.421 . . . . 0.0 110.938 -179.701 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 mm? . . . . . 0 C--O 1.227 -0.117 0 N-CA-C 115.72 1.748 . . . . 0.0 115.72 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.55 -47.06 76.97 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 121.165 1.802 . . . . 0.0 110.302 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.3 p -69.63 -31.22 69.19 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 125.34 1.456 . . . . 0.0 110.813 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -66.57 -27.55 67.82 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 121.283 -0.886 . . . . 0.0 110.386 178.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.5 mt -66.22 -46.53 87.16 Favored 'Isoleucine or valine' 0 C--N 1.341 0.221 0 N-CA-C 105.557 -2.016 . . . . 0.0 105.557 178.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -57.41 -42.23 81.87 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 117.989 0.359 . . . . 0.0 110.546 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -60.78 -33.33 72.81 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 118.979 -0.534 . . . . 0.0 110.061 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 16' ' ' LEU . 32.8 mt -76.56 -24.57 53.57 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 119.061 0.846 . . . . 0.0 111.86 179.106 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 64.3 mtt -60.33 -32.22 71.04 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.0 m -64.21 -13.24 47.62 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 125.773 1.629 . . . . 0.0 113.416 179.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -93.51 -19.17 21.49 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.913 0.779 . . . . 0.0 109.437 178.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.51 6.3 27.23 Favored Glycine 0 CA--C 1.534 1.265 0 CA-C-O 118.573 -1.126 . . . . 0.0 113.998 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -81.35 151.07 28.16 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 119.272 1.536 . . . . 0.0 107.625 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.9 m -86.86 152.01 22.83 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.713 -0.617 . . . . 0.0 110.964 179.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -51.25 -49.86 60.33 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 124.81 1.244 . . . . 0.0 112.191 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -60.42 -48.61 81.0 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.545 0.738 . . . . 0.0 110.871 -178.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -56.13 -44.9 79.63 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.989 0.813 . . . . 0.0 109.658 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.0 mt -59.76 -45.13 94.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -63.49 -41.01 98.56 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.956 0.798 . . . . 0.0 110.516 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -62.45 -48.1 81.12 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 120.294 1.406 . . . . 0.0 108.278 178.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.39 -40.46 86.66 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.746 -0.596 . . . . 0.0 110.945 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 22.5 mt -65.93 -48.53 71.06 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-O 118.072 -0.966 . . . . 0.0 112.347 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.2 -39.42 85.19 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 CA-C-N 119.293 0.952 . . . . 0.0 111.333 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.462 HD11 ' HG3' ' B' ' 46' ' ' GLU . 48.7 mt -71.2 -27.49 29.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 O-C-N 121.05 -1.032 . . . . 0.0 109.152 179.381 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.24 12.79 14.98 Favored 'General case' 0 N--CA 1.449 -0.523 0 O-C-N 120.966 -1.084 . . . . 0.0 111.109 179.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 10.3 m170 51.82 53.43 12.65 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 122.864 1.316 . . . . 0.0 110.266 -179.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 63.18 4.32 1.58 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 127.416 2.287 . . . . 0.0 113.601 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -77.27 106.17 8.84 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 120.302 1.41 . . . . 0.0 110.502 -179.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.1 tp -59.98 -43.24 91.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 123.939 0.895 . . . . 0.0 112.894 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -62.77 -46.45 87.94 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 119.772 1.169 . . . . 0.0 111.401 -178.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 16.3 ttt -63.01 -49.03 76.28 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.38 -42.33 81.92 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.885 0.874 . . . . 0.0 111.399 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -58.57 -41.73 86.36 Favored 'General case' 0 C--O 1.233 0.231 0 O-C-N 121.604 -0.685 . . . . 0.0 109.572 179.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -65.04 -37.23 86.91 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-O 117.907 -1.044 . . . . 0.0 109.682 179.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.4 mt -58.9 -54.83 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 106.209 -1.774 . . . . 0.0 106.209 178.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.0 mt -56.28 -35.99 68.1 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.315 0.646 . . . . 0.0 112.327 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.95 -36.74 84.94 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 119.721 1.146 . . . . 0.0 113.71 -179.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -104.08 -18.5 14.52 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -179.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -112.12 -17.35 12.84 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 CA--C 1.54 0.569 0 C-N-CA 126.296 1.838 . . . . 0.0 108.11 -179.704 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 10.2 mp . . . . . 0 N--CA 1.462 0.172 0 CA-C-O 118.342 -0.837 . . . . 0.0 112.341 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.87 -45.43 71.0 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.348 1.059 . . . . 0.0 111.329 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 15.8 p -62.11 -30.2 70.85 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.07 0.548 . . . . 0.0 111.927 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -78.64 -23.15 45.97 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.444 1.098 . . . . 0.0 111.777 -178.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 67.2 mt -66.91 -49.32 75.03 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 N-CA-C 106.051 -1.833 . . . . 0.0 106.051 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -60.29 -30.46 69.48 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 122.163 -0.336 . . . . 0.0 111.54 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 79.5 mtt180 -70.81 -37.93 73.29 Favored 'General case' 0 C--N 1.34 0.175 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 20.8 mt -70.94 -31.01 67.48 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 118.924 -0.56 . . . . 0.0 111.187 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 17.9 mtt -57.86 -33.0 68.2 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 118.761 0.71 . . . . 0.0 111.069 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 10.6 m -61.36 -23.15 65.57 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.728 0.811 . . . . 0.0 112.553 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -87.12 -1.81 58.16 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.384 -0.823 . . . . 0.0 111.138 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.65 -0.2 56.65 Favored Glycine 0 CA--C 1.523 0.576 0 CA-C-O 118.347 -1.252 . . . . 0.0 114.54 179.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -73.79 123.72 24.7 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 119.142 1.471 . . . . 0.0 108.846 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 6.0 m -62.81 155.96 25.34 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 118.504 0.593 . . . . 0.0 109.547 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -57.56 -47.16 82.84 Favored 'General case' 0 C--O 1.232 0.169 0 O-C-N 121.611 -0.681 . . . . 0.0 110.97 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -61.6 -43.44 98.86 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 118.61 -0.71 . . . . 0.0 110.952 -178.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -54.95 -50.52 68.69 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 31.3 mt -58.5 -44.53 89.26 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 O-C-N 121.093 -1.004 . . . . 0.0 109.072 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -59.92 -47.72 84.64 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.509 -0.744 . . . . 0.0 111.305 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -61.75 -46.96 87.36 Favored 'General case' 0 CA--C 1.52 -0.181 0 C-N-CA 123.653 0.781 . . . . 0.0 109.525 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.76 -43.89 97.41 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 119.047 -0.501 . . . . 0.0 109.953 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 33.6 mt -63.32 -47.3 82.78 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 119.103 0.865 . . . . 0.0 113.322 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 9.9 p -64.52 -47.04 90.85 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 CA-C-O 118.629 -0.701 . . . . 0.0 109.915 -179.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 58.5 mt -65.23 -35.47 75.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.47 1.96 15.08 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.132 -0.98 . . . . 0.0 111.944 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 31.9 m170 60.95 56.51 2.83 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 126.128 1.771 . . . . 0.0 110.435 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 56.5 29.6 15.69 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 126.357 1.863 . . . . 0.0 113.382 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -106.22 103.6 13.11 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 7.2 tp -60.77 -37.3 75.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 C-N-CA 123.374 0.67 . . . . 0.0 112.526 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -70.25 -36.82 74.71 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.506 1.048 . . . . 0.0 112.368 -178.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 12.7 ttt -73.39 -48.9 30.28 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 106.497 -1.668 . . . . 0.0 106.497 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.38 -39.66 84.07 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.973 0.909 . . . . 0.0 110.088 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -55.88 -43.9 77.62 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 123.717 0.807 . . . . 0.0 108.999 178.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 46.6 m-20 -65.26 -36.21 83.43 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-O 118.585 -0.721 . . . . 0.0 110.444 178.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.414 ' HA ' HD13 ' A' ' 32' ' ' ILE . 68.6 mt -60.71 -50.7 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 178.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.71 -37.87 83.15 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.329 0.652 . . . . 0.0 111.873 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -68.46 -33.23 73.82 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 -178.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . 0.462 ' HG3' HD11 ' A' ' 32' ' ' ILE . 29.9 mm-40 -92.95 -53.24 4.23 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.602 0.637 . . . . 0.0 112.536 -178.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -78.23 -51.71 9.77 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 121.637 -0.665 . . . . 0.0 111.774 -178.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.546 0.792 0 C-N-CA 124.272 1.029 . . . . 0.0 110.75 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.6 mp . . . . . 0 N--CA 1.469 0.52 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.63 -29.69 62.48 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.931 1.292 . . . . 0.0 109.7 178.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 62.9 p -63.56 -42.42 98.34 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.855 1.207 . . . . 0.0 109.973 178.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -64.17 -34.01 77.09 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.162 1.385 . . . . 0.0 110.739 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 59.9 mt -59.69 -45.5 94.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -65.45 -17.32 64.46 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 123.048 0.539 . . . . 0.0 111.946 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -87.85 -38.27 15.81 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 178.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.1 mt -61.19 -34.5 75.17 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 33.6 mtt -60.39 -40.0 89.3 Favored 'General case' 0 C--N 1.339 0.151 0 CA-C-N 118.43 0.559 . . . . 0.0 110.37 178.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.7 t -66.92 -25.7 66.5 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -73.21 -29.08 62.55 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 119.241 0.928 . . . . 0.0 109.747 178.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 133.18 -20.65 4.2 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 124.748 1.166 . . . . 0.0 113.529 179.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -67.13 131.84 46.61 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.449 1.124 . . . . 0.0 111.992 -178.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.21 153.06 43.54 Favored 'General case' 0 CA--C 1.53 0.192 0 O-C-N 121.781 -0.574 . . . . 0.0 110.14 179.494 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -59.62 -37.68 79.28 Favored 'General case' 0 C--O 1.236 0.382 0 O-C-N 121.532 -0.73 . . . . 0.0 110.826 179.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -58.58 -54.91 41.76 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.91 -52.44 57.68 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 127.897 2.479 . . . . 0.0 109.921 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 55.1 mt -53.3 -54.45 17.84 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 C-N-CA 124.324 1.05 . . . . 0.0 110.325 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -64.59 -50.81 65.77 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 117.428 -1.273 . . . . 0.0 109.866 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -48.61 -41.9 32.36 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 120.427 1.467 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.91 -47.27 63.1 Favored 'General case' 0 C--O 1.228 -0.075 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.2 mt -56.61 -47.56 79.35 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-O 117.982 -1.009 . . . . 0.0 111.061 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.9 t -54.62 -53.04 35.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-N 119.37 0.986 . . . . 0.0 109.487 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.16 -36.39 75.78 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 C-N-CA 123.324 0.65 . . . . 0.0 110.399 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.24 15.65 1.15 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.098 1.359 . . . . 0.0 112.201 179.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 30.2 m170 55.45 38.72 30.66 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 120.082 1.31 . . . . 0.0 109.961 -178.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 33.6 m120 65.8 16.76 10.62 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 128.705 2.802 . . . . 0.0 113.355 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -81.18 111.27 17.45 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.424 1.09 . . . . 0.0 108.385 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.1 tp -61.52 -42.37 93.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 124.294 1.037 . . . . 0.0 113.745 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -66.72 -46.06 76.72 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.15 -0.969 . . . . 0.0 110.424 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 16.3 ttt -61.94 -48.74 79.08 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.74 -39.84 86.11 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.506 0.723 . . . . 0.0 111.261 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -57.75 -43.18 85.24 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 123.505 0.722 . . . . 0.0 109.897 178.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -62.37 -42.35 99.34 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 123.923 0.764 . . . . 0.0 109.022 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 39.2 mt -57.21 -55.69 19.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.3 mt -55.04 -45.56 75.23 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.271 0.628 . . . . 0.0 111.683 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.6 ttt180 -64.23 -40.27 95.69 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -178.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -89.59 -22.98 22.08 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 115.615 1.709 . . . . 0.0 115.615 -178.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -112.21 -20.86 11.73 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 119.945 1.248 . . . . 0.0 113.78 -179.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.6 t . . . . . 0 CA--C 1.539 0.534 0 C-N-CA 125.238 1.415 . . . . 0.0 109.089 179.459 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 10.9 mp . . . . . 0 N--CA 1.478 0.955 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.15 -32.18 54.62 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.73 1.212 . . . . 0.0 110.334 178.581 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 13.4 p -65.26 -42.69 92.98 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 118.432 0.56 . . . . 0.0 110.344 178.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -64.69 -38.31 90.55 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 90.4 mt -61.41 -43.24 96.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 N-CA-C 107.548 -1.278 . . . . 0.0 107.548 178.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -62.86 -38.47 90.96 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 118.604 0.638 . . . . 0.0 109.949 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 -68.3 -36.76 79.83 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 118.143 -0.932 . . . . 0.0 109.967 179.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 85.6 mt -66.55 -39.43 88.53 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 14.5 mtm -63.18 -43.42 98.27 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 178.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 9.5 t -62.32 -38.72 90.55 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.145 0.978 . . . . 0.0 109.312 178.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -59.02 -35.17 72.83 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-N 119.443 1.02 . . . . 0.0 109.979 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 145.17 -5.01 1.39 Allowed Glycine 0 C--N 1.337 0.623 0 CA-C-O 118.511 -1.161 . . . . 0.0 113.864 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -82.93 165.33 19.82 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 119.455 1.627 . . . . 0.0 110.831 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 55.7 m -102.81 152.35 21.36 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 125.19 1.396 . . . . 0.0 108.797 179.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -55.33 -36.56 66.38 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.542 0.337 . . . . 0.0 111.011 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -54.31 -63.87 1.01 Allowed 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.554 1.142 . . . . 0.0 111.3 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -57.12 -44.86 83.72 Favored 'General case' 0 CA--C 1.517 -0.319 0 C-N-CA 124.867 1.267 . . . . 0.0 111.474 -178.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 31.4 mt -59.85 -46.91 93.25 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -63.75 -55.43 23.27 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 118.701 -0.666 . . . . 0.0 110.227 179.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mtpp -50.79 -39.51 52.92 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.299 0.954 . . . . 0.0 110.702 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.43 -53.84 17.33 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-O 118.317 -0.849 . . . . 0.0 108.766 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 15.0 mt -52.33 -47.2 66.15 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.232 1.413 . . . . 0.0 112.246 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 55.0 t -56.43 -57.69 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 C-N-CA 125.484 1.514 . . . . 0.0 108.504 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 62.0 mt -66.81 -25.27 34.22 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 C-N-CA 123.06 0.544 . . . . 0.0 110.424 -179.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.74 15.33 3.3 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.755 1.622 . . . . 0.0 111.885 179.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 40.6 m170 52.66 45.77 28.02 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.322 1.049 . . . . 0.0 110.756 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 27.5 m120 62.45 25.39 15.14 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.389 1.876 . . . . 0.0 113.808 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -99.33 110.27 22.8 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.73 1.212 . . . . 0.0 108.816 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 5.0 tp -62.26 -37.26 78.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 124.48 1.112 . . . . 0.0 113.097 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -72.67 -45.01 61.04 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 124.168 0.987 . . . . 0.0 111.38 -178.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 19.1 ttt -60.64 -46.39 90.49 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 178.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.34 -37.87 81.99 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 118.612 -0.708 . . . . 0.0 110.363 178.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -61.17 -39.89 91.83 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 120.351 1.432 . . . . 0.0 109.329 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -60.98 -42.14 97.78 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 57.6 mt -60.25 -50.03 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 N-CA-C 106.884 -1.524 . . . . 0.0 106.884 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.25 -6.78 7.46 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.499 0.719 . . . . 0.0 112.342 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -96.48 -66.07 0.93 Allowed 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 119.847 1.203 . . . . 0.0 109.959 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -74.4 0.39 14.68 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 115.111 1.522 . . . . 0.0 115.111 -177.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -134.88 -58.86 0.8 Allowed 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 119.003 0.82 . . . . 0.0 109.589 178.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 CA--C 1.54 0.574 0 O-C-N 121.986 -0.446 . . . . 0.0 112.175 -179.513 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.553 0 N-CA-C 109.137 -1.585 . . . . 0.0 109.137 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t -48.46 138.54 10.15 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.403 1.481 . . . . 0.0 111.106 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.7 p -70.41 -54.32 12.89 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 122.569 0.348 . . . . 0.0 111.692 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.51 -46.11 1.08 Allowed Glycine 0 C--N 1.337 0.585 0 C-N-CA 124.589 1.09 . . . . 0.0 112.465 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.5 m -134.33 169.99 16.4 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 125.472 1.509 . . . . 0.0 109.434 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 p -142.78 165.81 26.36 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 126.63 1.972 . . . . 0.0 108.594 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.59 -24.12 1.51 Allowed Glycine 0 CA--C 1.527 0.832 0 C-N-CA 124.747 1.165 . . . . 0.0 111.382 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -146.85 169.57 18.85 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 125.868 1.667 . . . . 0.0 108.907 178.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 tp -129.8 -23.2 2.85 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 126.771 2.028 . . . . 0.0 108.548 178.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.2 m -57.61 -31.07 65.85 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.206 1.402 . . . . 0.0 108.82 178.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.2 p -57.06 -21.23 29.94 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 127.614 2.366 . . . . 0.0 111.528 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -102.68 -29.55 11.45 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 125.009 1.324 . . . . 0.0 110.851 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.455 HG23 HG21 ' A' ' 26' ' ' ILE . 76.6 mt -61.52 -42.74 95.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 178.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -60.42 -37.55 81.23 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 125.11 1.364 . . . . 0.0 110.711 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 83.0 mtt-85 -74.82 -33.6 62.22 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 121.451 -0.781 . . . . 0.0 110.395 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.52 HD21 ' HG2' ' A' ' 41' ' ' LYS . 64.4 mt -67.52 -30.68 70.41 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 118.662 -0.685 . . . . 0.0 110.703 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 55.6 mtt -61.26 -40.58 94.61 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 177.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.4 t -57.49 -44.0 84.62 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.245 1.418 . . . . 0.0 110.349 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -63.4 -19.65 64.86 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.402 0.681 . . . . 0.0 112.335 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.83 2.02 34.37 Favored Glycine 0 C--N 1.335 0.504 0 CA-C-O 118.313 -1.27 . . . . 0.0 112.935 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -75.47 131.27 40.01 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 106.591 -1.633 . . . . 0.0 106.591 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.7 t -69.38 161.25 29.77 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 118.527 0.603 . . . . 0.0 110.707 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -56.11 -43.49 78.19 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -61.52 -48.01 83.0 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 123.292 0.637 . . . . 0.0 110.604 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -56.71 -47.11 80.65 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.139 0.976 . . . . 0.0 110.296 -179.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.455 HG21 HG23 ' A' ' 13' ' ' ILE . 57.1 mt -57.73 -50.83 76.24 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -60.77 -55.48 32.66 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-O 118.432 -0.794 . . . . 0.0 110.573 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -48.21 -41.26 26.84 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.58 1.082 . . . . 0.0 111.051 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.01 -46.0 69.11 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 118.633 0.651 . . . . 0.0 109.598 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 23.2 mt -57.79 -45.66 85.72 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 118.903 0.774 . . . . 0.0 110.526 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 83.7 t -55.9 -48.94 77.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 C-N-CA 124.727 1.211 . . . . 0.0 111.222 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.518 HD13 ' HA ' ' B' ' 43' ' ' ILE . 32.8 mt -74.67 -32.15 28.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 C-N-CA 123.488 0.715 . . . . 0.0 110.814 -178.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.31 2.76 20.3 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.148 0.979 . . . . 0.0 111.959 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 42.5 m170 59.33 49.96 8.3 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.933 1.693 . . . . 0.0 109.306 -178.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.8 m120 62.47 15.92 8.23 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 129.424 3.09 . . . . 0.0 113.978 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -80.81 105.73 12.27 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.7 tp -62.92 -38.31 81.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 118.879 0.763 . . . . 0.0 112.052 -179.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -62.76 -50.44 71.04 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 119.875 1.216 . . . . 0.0 110.719 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 16.2 ttt -60.55 -44.74 95.8 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 125.161 1.384 . . . . 0.0 108.045 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.1 -41.05 99.3 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 122.841 0.456 . . . . 0.0 110.637 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.52 ' HG2' HD21 ' A' ' 16' ' ' LEU . 43.2 mttm -61.77 -41.12 97.29 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 178.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -59.37 -43.4 92.87 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 123.455 0.702 . . . . 0.0 110.308 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 97.0 mt -54.74 -55.45 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 72.1 mt -56.65 -43.59 80.49 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.34 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 -66.37 -17.69 64.92 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -117.08 -10.96 10.79 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 120.376 1.444 . . . . 0.0 112.195 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -123.56 -47.97 1.95 Allowed 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.0 t -84.32 -9.38 58.52 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.799 0.84 . . . . 0.0 109.897 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.18 -176.21 40.66 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 126.525 2.012 . . . . 0.0 110.377 178.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -73.74 106.03 2.12 Favored 'Trans proline' 0 N--CA 1.454 -0.796 0 C-N-CA 122.995 2.463 . . . . 0.0 111.315 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.9 t -60.9 -43.44 98.53 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 179.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.0 m -127.0 153.06 46.4 Favored 'General case' 0 C--O 1.241 0.613 0 N-CA-C 107.532 -1.285 . . . . 0.0 107.532 178.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.219 0 N-CA-C 108.116 -1.994 . . . . 0.0 108.116 -179.225 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.659 0 CA-C-O 118.099 -1.389 . . . . 0.0 109.83 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 4.7 m -13.83 102.4 0.02 OUTLIER 'General case' 0 C--O 1.236 0.363 0 C-N-CA 129.252 3.021 . . . . 0.0 115.959 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.7 p -69.88 -21.33 63.34 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.751 -0.593 . . . . 0.0 110.585 178.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.72 -101.13 2.74 Favored Glycine 0 C--N 1.335 0.489 0 N-CA-C 106.303 -2.719 . . . . 0.0 106.303 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -67.99 154.64 41.2 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 121.451 0.643 . . . . 0.0 109.446 179.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 47.9 p -147.08 159.31 43.74 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 125.845 1.658 . . . . 0.0 107.123 178.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.56 -35.77 0.31 Allowed Glycine 0 CA--C 1.525 0.668 0 CA-C-O 119.037 -0.868 . . . . 0.0 111.786 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -149.62 166.5 29.11 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.594 1.557 . . . . 0.0 108.744 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 9.5 mp -111.76 -12.39 13.85 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 126.308 1.843 . . . . 0.0 110.946 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 1.5 m -48.8 -42.43 35.88 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.58 1.552 . . . . 0.0 112.021 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.84 -32.63 74.21 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.562 1.145 . . . . 0.0 113.255 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -78.12 -30.11 49.25 Favored 'General case' 0 C--O 1.23 0.06 0 CA-C-N 118.652 0.66 . . . . 0.0 110.977 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.16 -41.65 93.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 N-CA-C 106.158 -1.793 . . . . 0.0 106.158 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -65.1 -38.04 89.45 Favored 'General case' 0 C--O 1.233 0.214 0 O-C-N 121.865 -0.522 . . . . 0.0 110.195 178.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 84.2 mtt-85 -65.64 -33.49 76.02 Favored 'General case' 0 C--N 1.343 0.315 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.458 HD21 ' HG2' ' B' ' 41' ' ' LYS . 35.6 mt -70.09 -32.7 70.89 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 118.42 -0.8 . . . . 0.0 110.963 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 39.4 mtt -63.14 -36.41 83.53 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 119.254 0.934 . . . . 0.0 108.558 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.34 -35.62 72.19 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.478 1.511 . . . . 0.0 109.932 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -68.39 -31.43 70.78 Favored 'General case' 0 N--CA 1.457 -0.125 0 O-C-N 121.406 -0.809 . . . . 0.0 110.771 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.07 -13.93 6.65 Favored Glycine 0 CA--C 1.523 0.551 0 C-N-CA 125.162 1.363 . . . . 0.0 112.995 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -64.09 136.78 57.57 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.541 1.171 . . . . 0.0 108.627 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 10.2 t -79.63 153.3 29.48 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -52.63 -41.56 63.84 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 123.985 0.914 . . . . 0.0 111.636 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -58.35 -54.84 42.41 Favored 'General case' 0 C--N 1.342 0.252 0 CA-C-N 118.702 0.683 . . . . 0.0 109.562 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -59.65 -41.42 90.49 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.934 0.893 . . . . 0.0 110.533 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 60.4 mt -58.71 -47.5 88.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 CA-C-N 119.582 1.083 . . . . 0.0 108.559 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -62.79 -49.48 74.79 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 118.014 -0.993 . . . . 0.0 108.982 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -54.24 -40.18 67.48 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 120.633 1.561 . . . . 0.0 111.131 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.16 -47.8 81.12 Favored 'General case' 0 N--CA 1.463 0.225 0 O-C-N 121.52 -0.738 . . . . 0.0 109.024 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 20.8 mt -59.09 -45.67 90.26 Favored 'General case' 0 CA--C 1.522 -0.116 0 C-N-CA 123.91 0.884 . . . . 0.0 110.155 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 78.6 t -55.04 -57.69 6.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 C-N-CA 125.245 1.418 . . . . 0.0 109.154 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 39.8 mt -63.65 -23.55 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 C-N-CA 123.315 0.646 . . . . 0.0 111.877 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.13 9.18 29.29 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 119.924 1.238 . . . . 0.0 111.2 179.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 10.5 m170 56.96 51.7 10.27 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.955 1.302 . . . . 0.0 107.907 -178.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 6.9 m120 69.95 -7.2 0.96 Allowed 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 129.469 3.107 . . . . 0.0 113.295 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -65.64 100.8 0.55 Allowed 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 119.985 1.266 . . . . 0.0 113.004 -177.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 4.7 tp -61.65 -40.77 87.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 124.801 1.24 . . . . 0.0 111.632 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -59.36 -49.77 76.52 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 119.53 1.059 . . . . 0.0 109.601 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 16.2 ttt -64.39 -53.09 53.93 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 126.376 1.87 . . . . 0.0 109.123 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.79 -39.87 68.87 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.473 1.109 . . . . 0.0 111.341 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.458 ' HG2' HD21 ' B' ' 16' ' ' LEU . 21.5 mttm -62.34 -40.8 97.59 Favored 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 178.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -61.19 -40.45 93.97 Favored 'General case' 0 C--N 1.339 0.129 0 CA-C-O 118.384 -0.817 . . . . 0.0 109.077 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.518 ' HA ' HD13 ' A' ' 32' ' ' ILE . 8.3 mt -60.55 -57.16 13.22 Favored 'Isoleucine or valine' 0 C--N 1.343 0.32 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 73.7 mt -52.33 -48.74 65.29 Favored 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 124.201 1.0 . . . . 0.0 109.965 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -61.45 -25.47 67.25 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 124.875 1.27 . . . . 0.0 114.174 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.471 ' HG3' HD11 ' A' ' 32' ' ' ILE . 14.6 mm-40 -99.3 -37.9 9.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 119.748 1.158 . . . . 0.0 113.26 -178.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -94.31 -60.39 1.74 Allowed 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 124.739 1.216 . . . . 0.0 111.751 -178.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.39 -8.63 56.69 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.852 0.861 . . . . 0.0 111.071 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.96 173.5 29.27 Favored Glycine 0 CA--C 1.53 0.993 0 C-N-CA 127.173 2.321 . . . . 0.0 109.021 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -71.59 99.64 0.96 Allowed 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 122.755 2.303 . . . . 0.0 112.938 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 9.8 t -80.74 34.7 0.34 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.275 1.43 . . . . 0.0 109.994 178.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 28.0 m -166.6 -171.16 1.8 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 127.715 2.406 . . . . 0.0 108.85 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.81 0 N-CA-C 108.328 -1.909 . . . . 0.0 108.328 179.583 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.054 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.23 118.42 3.5 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 118.193 0.996 . . . . 0.0 112.013 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.0 p -81.24 -168.55 1.88 Allowed 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.451 1.1 . . . . 0.0 109.048 178.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.56 -154.11 20.89 Favored Glycine 0 C--N 1.336 0.537 0 O-C-N 120.582 -1.324 . . . . 0.0 110.797 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.1 p -147.07 172.94 12.97 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 123.518 0.727 . . . . 0.0 110.547 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.0 m -121.34 175.47 6.13 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 123.749 0.82 . . . . 0.0 111.736 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.42 -11.94 30.78 Favored Glycine 0 CA--C 1.53 1.021 0 C-N-CA 127.855 2.645 . . . . 0.0 113.397 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -148.75 145.93 27.83 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 119.338 1.569 . . . . 0.0 109.296 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.5 mp -98.84 -26.76 14.2 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 178.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.2 m -48.41 -49.11 36.32 Favored 'General case' 0 C--N 1.341 0.228 0 C-N-CA 124.797 1.239 . . . . 0.0 110.509 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.8 m -56.28 -37.48 69.9 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.605 1.162 . . . . 0.0 112.528 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -77.23 -28.99 53.9 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 118.966 0.803 . . . . 0.0 110.056 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 98.7 mt -64.2 -45.77 95.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 N-CA-C 104.467 -2.42 . . . . 0.0 104.467 177.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -58.6 -36.56 74.2 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.173 0.989 . . . . 0.0 109.58 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.9 mmt-85 -69.92 -38.18 76.16 Favored 'General case' 0 CA--C 1.518 -0.271 0 O-C-N 121.545 -0.722 . . . . 0.0 110.217 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.1 mt -67.34 -28.75 68.24 Favored 'General case' 0 N--CA 1.454 -0.255 0 O-C-N 121.672 -0.643 . . . . 0.0 109.584 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 17.0 mtt -61.52 -45.37 94.5 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 178.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.3 m -62.02 -29.29 70.17 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.929 0.892 . . . . 0.0 112.221 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -72.79 -14.9 61.63 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.615 1.098 . . . . 0.0 112.23 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.91 25.93 5.99 Favored Glycine 0 CA--C 1.527 0.788 0 CA-C-O 118.635 -1.092 . . . . 0.0 114.523 179.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -110.47 154.93 22.94 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 118.464 1.132 . . . . 0.0 111.463 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.7 m -82.62 158.63 22.95 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.895 1.278 . . . . 0.0 109.046 178.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -67.11 -36.66 82.42 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.826 0.85 . . . . 0.0 109.722 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -57.77 -55.51 34.0 Favored 'General case' 0 C--O 1.224 -0.238 0 C-N-CA 124.177 0.991 . . . . 0.0 108.884 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -53.53 -49.06 68.4 Favored 'General case' 0 N--CA 1.461 0.101 0 C-N-CA 124.53 1.132 . . . . 0.0 109.608 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.9 mt -56.24 -49.17 77.78 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 O-C-N 121.779 -0.575 . . . . 0.0 110.005 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 71.2 mm-40 -63.35 -42.8 98.94 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.892 0.877 . . . . 0.0 111.823 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -63.8 -44.33 93.62 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.966 0.803 . . . . 0.0 109.199 179.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.73 -39.13 93.54 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.2 mt -64.22 -50.63 67.26 Favored 'General case' 0 C--N 1.34 0.182 0 CA-C-O 118.473 -0.775 . . . . 0.0 112.075 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.9 p -61.33 -45.81 97.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 119.034 0.833 . . . . 0.0 110.924 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 72.0 mt -67.43 -31.82 54.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.71 10.19 4.31 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 120.93 -1.106 . . . . 0.0 110.288 178.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 34.4 m170 53.66 46.35 26.14 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.202 1.801 . . . . 0.0 109.178 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 72.33 6.43 5.5 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 128.726 2.81 . . . . 0.0 113.968 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -80.14 106.33 12.08 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 120.243 1.383 . . . . 0.0 109.858 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.5 tp -63.21 -41.34 92.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 123.803 0.841 . . . . 0.0 112.362 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -64.22 -46.58 83.25 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 119.637 1.108 . . . . 0.0 110.224 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 14.8 ttt -61.64 -46.86 87.99 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 178.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.59 -39.21 87.25 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 123.304 0.642 . . . . 0.0 111.099 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -58.63 -36.89 74.8 Favored 'General case' 0 C--O 1.234 0.289 0 O-C-N 121.341 -0.85 . . . . 0.0 109.855 178.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -67.76 -41.89 82.61 Favored 'General case' 0 C--N 1.341 0.222 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 64.7 mt -55.15 -54.71 21.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.3 mt -56.12 -44.74 79.43 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.443 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 -61.11 -35.2 76.37 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -103.9 -7.06 20.73 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 114.954 1.465 . . . . 0.0 114.954 -177.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -119.07 -36.64 3.36 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 119.175 0.898 . . . . 0.0 111.686 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.29 -8.58 21.98 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.21 1.404 . . . . 0.0 110.417 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -118.01 -169.1 14.62 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 127.459 2.457 . . . . 0.0 109.172 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -71.02 152.86 63.15 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.941 1.761 . . . . 0.0 111.001 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.2 m -116.37 153.93 31.15 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 178.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.2 t -115.88 118.53 33.24 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 118.855 0.752 . . . . 0.0 110.786 -178.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.207 0 CA-C-O 116.388 -2.34 . . . . 0.0 109.975 179.808 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.741 0 CA-C-O 119.014 -0.881 . . . . 0.0 111.309 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 32.3 t -72.57 89.38 1.29 Allowed 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.695 1.598 . . . . 0.0 108.423 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 78.1 p -71.25 131.14 43.05 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.76 -169.4 41.82 Favored Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 109.65 -1.38 . . . . 0.0 109.65 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 20.6 p -128.74 167.42 17.29 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 125.439 1.496 . . . . 0.0 108.325 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 24.5 p -146.22 176.4 9.78 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 123.869 0.867 . . . . 0.0 108.946 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.89 -36.22 4.42 Favored Glycine 0 C--N 1.334 0.437 0 CA-C-O 118.535 -1.147 . . . . 0.0 112.837 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -136.87 95.36 3.11 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 119.639 1.72 . . . . 0.0 108.365 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 11.2 mp -51.91 -26.13 9.6 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 126.332 1.853 . . . . 0.0 112.574 -179.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 7.2 p -52.2 -42.97 63.96 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.708 1.603 . . . . 0.0 109.284 177.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 8.9 m -59.63 -34.79 73.24 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 125.378 1.471 . . . . 0.0 110.714 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -78.33 -16.24 57.91 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 121.21 -0.931 . . . . 0.0 111.257 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 76.5 mt -69.08 -42.48 81.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 N-CA-C 104.149 -2.538 . . . . 0.0 104.149 177.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -58.81 -43.9 90.69 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 125.023 1.329 . . . . 0.0 109.622 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -63.49 -15.59 58.26 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 118.847 -0.597 . . . . 0.0 112.451 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 39.8 mt -98.45 -29.85 12.88 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 119.265 0.939 . . . . 0.0 108.686 178.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 49.7 mtt -58.52 -43.01 89.03 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 118.953 0.797 . . . . 0.0 109.366 178.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.71 6.32 0.5 Allowed 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.813 1.645 . . . . 0.0 114.651 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.463 ' HB2' ' CD2' ' B' ' 21' ' ' TYR . 4.6 mm-40 -106.17 -15.3 14.9 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 120.19 -1.569 . . . . 0.0 110.557 178.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.52 3.29 53.26 Favored Glycine 0 CA--C 1.532 1.154 0 N-CA-C 110.009 -1.236 . . . . 0.0 110.009 -178.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . 0.463 ' CD2' ' HB2' ' B' ' 19' ' ' GLN . 45.1 m-85 -83.95 127.72 34.05 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 104.111 -2.551 . . . . 0.0 104.111 178.282 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 50.7 m -77.63 156.74 30.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 119.289 0.95 . . . . 0.0 111.567 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -51.05 -41.11 59.67 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 126.154 1.782 . . . . 0.0 111.589 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -55.86 -53.98 50.13 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 123.944 0.778 . . . . 0.0 110.187 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . 0.432 ' HA ' ' HE3' ' B' ' 28' ' ' LYS . 39.0 m-20 -58.73 -47.77 83.46 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.629 0.772 . . . . 0.0 109.532 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 40.1 mt -55.02 -48.16 76.14 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -61.88 -46.71 88.21 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.899 1.28 . . . . 0.0 109.947 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.432 ' HE3' ' HA ' ' B' ' 25' ' ' ASP . 7.7 mtmp? -56.6 -42.78 79.31 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 121.085 -1.009 . . . . 0.0 109.542 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.91 -44.38 77.07 Favored 'General case' 0 N--CA 1.452 -0.355 0 O-C-N 121.329 -0.857 . . . . 0.0 110.591 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 41.7 mt -58.19 -50.27 74.11 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 119.368 0.985 . . . . 0.0 112.004 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 9.3 p -61.18 -28.95 44.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 CA-C-N 118.403 0.547 . . . . 0.0 112.348 -179.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 86.4 mt -89.63 -23.65 6.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 O-C-N 121.264 -0.897 . . . . 0.0 110.013 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.22 10.13 28.4 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 120.514 -1.366 . . . . 0.0 111.254 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 12.6 m170 53.74 46.93 24.85 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 122.846 1.308 . . . . 0.0 108.841 -178.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 64.89 5.27 2.79 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 127.119 2.168 . . . . 0.0 112.687 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -70.94 99.88 1.86 Allowed 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 6.7 tp -58.01 -39.0 70.22 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 C-N-CA 125.169 1.388 . . . . 0.0 112.549 -179.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -69.38 -46.36 67.12 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.528 -0.732 . . . . 0.0 110.454 -179.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 16.4 ttt -61.05 -46.55 90.25 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.38 -45.68 92.68 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 123.654 0.782 . . . . 0.0 109.945 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 19.9 mttm -53.63 -39.44 64.98 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 119.207 0.912 . . . . 0.0 109.009 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -69.1 -44.1 73.17 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 118.617 -0.706 . . . . 0.0 110.418 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 71.7 mt -56.29 -51.55 62.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 CA-C-O 122.846 1.308 . . . . 0.0 107.732 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 24.3 mt -59.03 -21.93 59.87 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 125.052 1.341 . . . . 0.0 112.406 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -93.54 -12.45 29.56 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-O 117.047 -1.454 . . . . 0.0 112.915 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -119.58 -6.71 10.19 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 120.693 1.588 . . . . 0.0 113.658 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -118.41 -64.08 1.33 Allowed 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 104.716 -2.328 . . . . 0.0 104.716 178.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.32 0.72 27.79 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 123.405 0.682 . . . . 0.0 109.28 177.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -134.32 -177.84 15.22 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 127.239 2.352 . . . . 0.0 111.303 -179.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -71.1 158.45 55.03 Favored 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 124.024 3.149 . . . . 0.0 116.027 -177.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 45.8 m -141.82 -173.7 3.87 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 128.205 2.602 . . . . 0.0 108.152 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 8.1 t -121.97 165.91 15.26 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 124.159 0.984 . . . . 0.0 109.514 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 C-N-CA 126.118 1.818 . . . . 0.0 112.557 179.506 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.866 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.4 m -108.02 58.95 0.61 Allowed 'General case' 0 C--O 1.233 0.236 0 C-N-CA 124.82 1.248 . . . . 0.0 110.764 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.0 p -89.43 -176.09 4.94 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.658 1.183 . . . . 0.0 109.447 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.3 7.13 35.47 Favored Glycine 0 CA--C 1.525 0.656 0 CA-C-O 118.62 -1.1 . . . . 0.0 115.352 178.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.5 m -135.37 -178.47 5.12 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 119.212 1.506 . . . . 0.0 111.651 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 t -149.05 177.41 9.62 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 127.362 2.265 . . . . 0.0 107.344 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.06 -116.97 1.01 Allowed Glycine 0 N--CA 1.45 -0.379 0 N-CA-C 108.183 -1.967 . . . . 0.0 108.183 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -123.38 164.99 17.78 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.571 0.701 . . . . 0.0 112.048 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -121.61 15.14 11.09 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.73 2.012 . . . . 0.0 113.17 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.0 m -48.68 -56.63 7.99 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 125.024 1.33 . . . . 0.0 112.902 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -60.0 -20.95 60.48 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.653 1.181 . . . . 0.0 113.878 -179.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -86.38 -22.97 26.33 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 119.307 0.958 . . . . 0.0 109.554 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.8 mt -61.47 -47.59 92.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 N-CA-C 106.127 -1.805 . . . . 0.0 106.127 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -57.57 -37.41 73.12 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 126.514 1.925 . . . . 0.0 111.151 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -70.32 -37.6 74.77 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.2 mt -69.55 -29.37 66.93 Favored 'General case' 0 C--N 1.337 0.031 0 C-N-CA 124.401 1.081 . . . . 0.0 111.959 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 39.5 mtt -59.62 -29.71 68.2 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 120.012 1.278 . . . . 0.0 111.242 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.0 m -64.7 -23.79 67.36 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 118.517 0.599 . . . . 0.0 111.403 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -85.51 -1.37 57.01 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.382 1.073 . . . . 0.0 111.453 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.45 -15.39 60.09 Favored Glycine 0 CA--C 1.525 0.665 0 C-N-CA 125.507 1.527 . . . . 0.0 114.643 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -58.64 123.46 16.4 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 118.693 1.246 . . . . 0.0 111.226 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.8 m -64.92 143.8 57.71 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.033 0.933 . . . . 0.0 108.818 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -52.01 -45.13 64.44 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 123.634 0.774 . . . . 0.0 111.3 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -59.18 -47.01 86.88 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 117.524 0.147 . . . . 0.0 111.308 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -59.71 -42.59 93.41 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 121.154 -0.966 . . . . 0.0 109.743 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.3 mt -60.4 -41.55 87.79 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -63.05 -50.82 69.11 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.104 0.962 . . . . 0.0 110.098 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.8 mttp -57.53 -45.66 84.78 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.129 0.972 . . . . 0.0 109.753 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.17 -43.42 95.83 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 118.619 -0.705 . . . . 0.0 110.613 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 28.6 mt -62.69 -51.67 66.29 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 119.19 0.905 . . . . 0.0 112.902 -179.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.2 p -57.45 -47.58 84.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 118.121 0.419 . . . . 0.0 110.785 -178.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 72.6 mt -65.77 -38.56 82.52 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.04 7.18 3.45 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 37.0 m170 60.02 48.98 8.03 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 119.92 1.237 . . . . 0.0 108.375 -178.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 48.2 55.97 8.04 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 127.057 2.143 . . . . 0.0 109.73 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -125.07 105.3 9.07 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 123.986 0.914 . . . . 0.0 109.129 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.55 HG13 ' HE3' ' A' ' 41' ' ' LYS . 5.7 tp -61.29 -42.05 92.07 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.329 0 C-N-CA 122.84 0.456 . . . . 0.0 110.923 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -65.12 -18.76 65.57 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 125.355 1.462 . . . . 0.0 113.976 -177.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 14.9 ttt -98.53 -47.67 5.29 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 106.498 -1.667 . . . . 0.0 106.498 179.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.01 -38.77 80.01 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.68 0.792 . . . . 0.0 111.08 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.55 ' HE3' HG13 ' A' ' 37' ' ' ILE . 83.1 mttt -57.77 -41.07 81.27 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 123.99 0.916 . . . . 0.0 109.041 178.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -64.49 -45.83 85.63 Favored 'General case' 0 C--O 1.227 -0.111 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.557 ' HA ' HD13 ' B' ' 32' ' ' ILE . 25.9 mt -56.96 -48.55 81.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.3 mt -61.3 -30.93 70.79 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 123.021 0.528 . . . . 0.0 111.42 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -71.84 -37.18 70.32 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 123.349 0.66 . . . . 0.0 111.549 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.494 ' HG3' HD11 ' B' ' 32' ' ' ILE . 47.7 mm-40 -90.15 -55.7 3.51 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 -178.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -83.25 -10.71 58.4 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -178.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.0 m -132.36 -170.43 2.42 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 176.51 -164.13 33.68 Favored Glycine 0 CA--C 1.525 0.694 0 O-C-N 121.14 -0.975 . . . . 0.0 110.778 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -71.77 176.71 7.86 Favored 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 122.884 2.389 . . . . 0.0 111.425 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.0 166.56 14.29 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 124.352 1.061 . . . . 0.0 108.855 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.17 -26.2 0.1 Allowed 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 123.743 0.817 . . . . 0.0 111.831 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.67 0 N-CA-C 108.283 -1.927 . . . . 0.0 108.283 178.565 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.465 0 N-CA-C 108.902 -1.679 . . . . 0.0 108.902 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 58.0 m -64.68 128.13 34.45 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 50.5 p -162.8 -159.48 0.56 Allowed 'General case' 0 C--O 1.237 0.447 0 C-N-CA 126.331 1.852 . . . . 0.0 107.625 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.06 -60.26 1.98 Allowed Glycine 0 C--N 1.336 0.553 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 5.1 m -64.49 179.36 0.61 Allowed 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.737 1.215 . . . . 0.0 111.241 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 40.0 t -151.05 163.63 38.33 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 126.666 1.986 . . . . 0.0 107.208 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.01 -129.63 1.91 Allowed Glycine 0 C--N 1.335 0.485 0 O-C-N 121.583 -0.698 . . . . 0.0 111.665 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -103.18 133.43 48.29 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 125.252 1.421 . . . . 0.0 108.338 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -107.73 22.33 16.12 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.061 1.744 . . . . 0.0 110.379 -179.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 3.4 p -62.54 -45.83 91.16 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 126.827 2.051 . . . . 0.0 112.277 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 49.4 m -66.31 -24.74 66.59 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.869 0.759 . . . . 0.0 109.292 178.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -76.58 -17.04 59.42 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 118.518 -0.753 . . . . 0.0 109.582 178.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 74.4 mt -65.52 -46.57 89.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 N-CA-C 104.971 -2.233 . . . . 0.0 104.971 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -56.66 -40.01 74.75 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.155 0.582 . . . . 0.0 111.282 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -58.03 -30.52 66.19 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.796 -0.565 . . . . 0.0 110.649 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.411 HD21 ' HE2' ' B' ' 41' ' ' LYS . 67.5 mt -87.96 -26.54 22.62 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 124.722 1.209 . . . . 0.0 110.863 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 34.8 mtt -62.76 -31.75 72.76 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 50.2 m -64.01 -13.48 46.99 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.744 1.218 . . . . 0.0 111.308 177.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -98.05 -15.26 20.1 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.151 1.38 . . . . 0.0 109.946 178.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.29 -2.45 61.14 Favored Glycine 0 CA--C 1.532 1.129 0 C-N-CA 126.611 2.053 . . . . 0.0 114.343 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -57.49 139.13 54.14 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 120.206 2.003 . . . . 0.0 109.451 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.4 m -66.68 145.55 55.44 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 122.501 0.32 . . . . 0.0 110.773 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -55.08 -46.96 75.49 Favored 'General case' 0 C--N 1.333 -0.109 0 C-N-CA 123.901 0.88 . . . . 0.0 109.078 179.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -58.03 -45.13 87.44 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 123.613 0.765 . . . . 0.0 110.006 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -62.14 -45.43 93.47 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 123.851 0.86 . . . . 0.0 109.562 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 47.0 mt -61.44 -44.98 99.49 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -61.13 -45.3 95.24 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.815 1.246 . . . . 0.0 110.013 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 41.7 mttt -59.55 -47.35 85.9 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 120.919 -1.113 . . . . 0.0 108.27 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.76 -43.65 94.2 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 119.01 -0.519 . . . . 0.0 109.931 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 30.9 mt -62.77 -53.51 53.24 Favored 'General case' 0 C--N 1.34 0.179 0 CA-C-O 118.393 -0.813 . . . . 0.0 111.658 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 5.4 p -59.72 -42.83 89.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-N 119.418 1.008 . . . . 0.0 111.555 -178.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.557 HD13 ' HA ' ' A' ' 43' ' ' ILE . 63.9 mt -68.72 -32.44 54.97 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 O-C-N 121.617 -0.677 . . . . 0.0 109.633 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.6 10.39 13.38 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 123.978 0.911 . . . . 0.0 112.354 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 8.8 m170 56.07 40.54 30.24 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 124.824 1.25 . . . . 0.0 110.32 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 74.18 6.19 4.7 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 128.043 2.537 . . . . 0.0 112.913 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -75.2 99.32 3.97 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 119.696 1.135 . . . . 0.0 108.809 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 6.1 tp -55.71 -40.21 59.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 124.881 1.272 . . . . 0.0 112.399 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -64.46 -48.61 74.6 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 125.159 1.383 . . . . 0.0 110.129 -177.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 6.7 ttt -65.46 -46.21 80.7 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 178.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.97 -42.91 86.04 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.36 1.064 . . . . 0.0 110.771 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.411 ' HE2' HD21 ' B' ' 16' ' ' LEU . 18.8 mttt -59.05 -43.77 91.72 Favored 'General case' 0 CA--C 1.517 -0.316 0 O-C-N 121.642 -0.662 . . . . 0.0 109.231 178.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -60.65 -37.65 82.25 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 118.59 -0.719 . . . . 0.0 109.559 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 67.3 mt -60.58 -54.87 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 178.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 68.6 mt -62.38 -6.27 3.14 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.993 1.317 . . . . 0.0 112.521 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -96.66 -21.11 17.81 Favored 'General case' 0 C--N 1.338 0.072 0 O-C-N 120.703 -1.248 . . . . 0.0 112.181 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -124.43 -6.98 7.54 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -178.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -115.1 -74.39 0.61 Allowed 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 178.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 18.8 m -66.42 170.37 6.17 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -156.66 -178.16 30.5 Favored Glycine 0 CA--C 1.524 0.596 0 O-C-N 120.494 -1.379 . . . . 0.0 112.82 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -74.3 149.76 40.75 Favored 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 122.866 2.377 . . . . 0.0 110.19 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 26.2 p -82.44 178.14 8.38 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 178.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 88.7 p -142.2 -68.89 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 105.175 -2.157 . . . . 0.0 105.175 178.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.668 0 N-CA-C 106.569 -2.612 . . . . 0.0 106.569 177.514 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.649 0 N-CA-C 111.5 -0.64 . . . . 0.0 111.5 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 m -79.37 -175.57 4.77 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 123.419 0.687 . . . . 0.0 111.029 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 t -122.77 157.6 32.02 Favored 'General case' 0 C--O 1.24 0.6 0 N-CA-C 106.661 -1.607 . . . . 0.0 106.661 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.12 175.67 42.75 Favored Glycine 0 CA--C 1.532 1.106 0 N-CA-C 107.607 -2.197 . . . . 0.0 107.607 -177.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m 61.71 20.03 11.02 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.546 -0.973 . . . . 0.0 112.232 -179.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.3 m -80.28 154.32 27.92 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.07 -166.34 25.99 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 106.755 -2.538 . . . . 0.0 106.755 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -64.44 159.94 20.29 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 177.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.0 tt -55.18 -29.83 58.64 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.56 1.144 . . . . 0.0 110.675 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.9 p -54.69 -40.43 69.15 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.811 0.844 . . . . 0.0 110.822 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.8 m -74.78 -5.98 46.41 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.542 1.537 . . . . 0.0 112.671 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -98.1 -31.78 11.95 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 178.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.4 mt -61.63 -48.1 90.3 Favored 'Isoleucine or valine' 0 C--N 1.342 0.276 0 N-CA-C 105.589 -2.004 . . . . 0.0 105.589 177.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -60.18 -30.95 69.68 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.339 0.656 . . . . 0.0 110.893 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -77.12 -33.36 56.83 Favored 'General case' 0 CA--C 1.52 -0.203 0 O-C-N 121.26 -0.9 . . . . 0.0 109.717 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.7 mt -69.62 -31.92 70.33 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 178.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 48.1 mtt -60.56 -32.95 72.0 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 119.145 0.884 . . . . 0.0 110.052 178.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.1 m -59.35 -26.52 65.13 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.925 1.29 . . . . 0.0 111.659 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -78.26 -9.54 59.27 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.254 0.621 . . . . 0.0 111.238 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.09 2.61 48.53 Favored Glycine 0 C--N 1.335 0.512 0 C-N-CA 125.278 1.418 . . . . 0.0 113.517 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -76.55 132.14 39.35 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 118.506 1.153 . . . . 0.0 109.26 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.8 m -75.96 158.17 32.27 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -51.31 -39.7 57.46 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 118.835 -0.603 . . . . 0.0 111.644 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -57.92 -48.3 80.3 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.409 0.684 . . . . 0.0 111.108 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -61.42 -48.42 81.26 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 125.46 1.504 . . . . 0.0 110.045 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.4 mt -61.26 -47.13 94.92 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 O-C-N 121.407 -0.808 . . . . 0.0 109.275 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -58.52 -49.93 75.6 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.564 1.546 . . . . 0.0 109.656 178.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -52.64 -47.51 67.03 Favored 'General case' 0 C--N 1.344 0.359 0 CA-C-N 120.018 1.281 . . . . 0.0 110.628 178.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.42 -38.65 81.17 Favored 'General case' 0 C--O 1.226 -0.142 0 CA-C-O 118.716 -0.659 . . . . 0.0 110.802 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 62.2 mt -66.75 -57.14 7.69 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 118.92 0.782 . . . . 0.0 110.15 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.1 p -57.63 -41.5 79.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 118.877 0.762 . . . . 0.0 111.299 -178.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 95.2 mt -68.23 -25.58 31.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 O-C-N 121.618 -0.677 . . . . 0.0 110.188 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.44 12.97 20.99 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.065 1.346 . . . . 0.0 110.611 178.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 15.0 m170 59.62 27.49 16.72 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.081 1.753 . . . . 0.0 111.024 -178.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 88.32 0.58 0.39 Allowed 'General case' 0 N--CA 1.464 0.255 1 C-N-CA 132.24 4.216 . . . . 0.0 113.202 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -65.32 110.32 2.58 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.76 1.164 . . . . 0.0 110.663 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.1 tp -65.88 -38.47 82.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -68.15 -38.85 82.58 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.331 -0.856 . . . . 0.0 110.813 -178.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 22.1 ttt -69.99 -49.82 47.75 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.34 -39.02 75.04 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.12 0.968 . . . . 0.0 111.207 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -58.17 -45.53 87.34 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 178.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -62.75 -34.54 77.42 Favored 'General case' 0 CA--C 1.527 0.06 0 CA-C-O 118.523 -0.751 . . . . 0.0 111.155 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 57.0 mt -58.54 -53.37 47.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 105.499 -2.037 . . . . 0.0 105.499 178.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 64.7 mt -73.53 27.88 0.07 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 127.05 2.14 . . . . 0.0 111.296 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -135.03 -20.49 1.69 Allowed 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 125.292 1.437 . . . . 0.0 112.575 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -122.43 -6.24 8.74 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.08 0.952 . . . . 0.0 111.373 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -119.88 -90.89 0.57 Allowed 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.19 120.67 13.64 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 143.04 -176.5 22.54 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -77.88 45.42 1.78 Allowed 'Trans proline' 0 CA--C 1.545 1.04 0 C-N-CA 124.028 3.152 . . . . 0.0 110.514 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.4 m -63.01 170.39 2.78 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.989 2.116 . . . . 0.0 112.032 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 89.9 p -157.97 174.41 15.29 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 124.131 0.973 . . . . 0.0 110.185 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.634 0 CA-C-O 118.72 -1.045 . . . . 0.0 110.822 178.981 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.755 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.4 m -72.69 -171.63 0.86 Allowed 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 118.25 1.025 . . . . 0.0 108.842 178.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 7.4 t -130.84 126.7 36.94 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.27 -178.88 23.65 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 125.565 1.555 . . . . 0.0 110.024 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 9.4 m 57.04 9.19 0.6 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.304 1.442 . . . . 0.0 114.043 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 20.4 m -66.14 150.25 49.03 Favored 'General case' 0 C--O 1.241 0.623 0 O-C-N 121.091 -1.005 . . . . 0.0 109.034 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.37 -165.29 10.48 Favored Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 109.89 -1.284 . . . . 0.0 109.89 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -71.2 157.92 37.31 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 104.515 -2.402 . . . . 0.0 104.515 177.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 7.9 tt -50.99 -32.14 20.2 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 119.48 1.036 . . . . 0.0 111.767 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.42 -43.27 93.08 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 125.642 1.577 . . . . 0.0 110.733 178.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 75.0 m -70.18 -40.85 74.43 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.173 0.989 . . . . 0.0 109.336 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -59.19 -38.13 79.1 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.368 1.067 . . . . 0.0 110.503 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 54.8 mt -59.25 -40.42 81.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 178.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -72.53 -32.25 65.95 Favored 'General case' 0 N--CA 1.457 -0.106 0 O-C-N 121.485 -0.76 . . . . 0.0 110.581 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 37.8 mtp85 -63.82 -24.02 67.59 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 119.03 0.832 . . . . 0.0 109.552 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 16.5 mt -82.93 -33.09 26.87 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 124.772 1.229 . . . . 0.0 110.3 178.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 52.8 mtt -51.41 -42.43 61.45 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.938 1.245 . . . . 0.0 110.844 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 24.4 m -56.49 -12.54 1.78 Allowed 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 -86.34 1.07 52.44 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 120.24 1.382 . . . . 0.0 110.403 178.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.82 3.91 58.04 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 126.387 1.946 . . . . 0.0 110.85 -178.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 17.5 m-30 -72.87 147.74 45.09 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 126.766 2.026 . . . . 0.0 112.331 -179.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 16.5 m -99.06 152.79 19.45 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -53.58 -38.97 64.43 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 114.441 1.274 . . . . 0.0 114.441 -178.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -65.1 -41.83 94.57 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 119.288 0.949 . . . . 0.0 111.272 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -55.96 -48.3 76.03 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 48.2 mt -62.39 -47.69 91.86 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -58.79 -43.76 90.54 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 118.405 -0.807 . . . . 0.0 111.586 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -58.99 -49.2 78.78 Favored 'General case' 0 CA--C 1.526 0.054 0 CA-C-N 119.395 0.998 . . . . 0.0 108.876 178.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.83 -41.08 90.56 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 118.791 0.723 . . . . 0.0 110.041 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 20.4 mt -63.22 -55.09 27.87 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 118.401 -0.809 . . . . 0.0 111.164 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 10.0 p -59.93 -43.69 92.83 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-N 119.15 0.886 . . . . 0.0 111.337 -179.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 77.7 mt -65.36 -31.0 51.95 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.47 11.41 7.02 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.347 1.059 . . . . 0.0 111.323 178.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 19.3 m170 63.9 26.57 14.27 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.485 1.514 . . . . 0.0 110.72 -178.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 83.15 5.62 0.84 Allowed 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 131.435 3.894 . . . . 0.0 112.465 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -72.73 107.71 5.33 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.558 -0.714 . . . . 0.0 109.461 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 8.0 tp -61.05 -38.89 80.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 123.987 0.915 . . . . 0.0 113.069 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -68.03 -45.58 73.58 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 119.849 1.204 . . . . 0.0 109.956 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 17.7 ttt -62.84 -44.83 95.1 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.88 -45.81 92.16 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.533 0.733 . . . . 0.0 109.138 178.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -53.96 -38.21 64.75 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 118.082 -0.961 . . . . 0.0 109.731 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 -63.74 -44.66 92.84 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 119.091 0.86 . . . . 0.0 109.415 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 46.0 mt -57.09 -49.71 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 179.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 64.2 mt -73.7 27.32 0.07 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.697 1.999 . . . . 0.0 112.735 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -141.12 -36.61 0.45 Allowed 'General case' 0 C--O 1.235 0.309 0 C-N-CA 126.294 1.837 . . . . 0.0 110.282 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -100.47 -15.26 17.96 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 118.82 0.736 . . . . 0.0 111.978 -179.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -116.83 -75.22 0.58 Allowed 'General case' 0 C--N 1.341 0.22 0 C-N-CA 125.531 1.532 . . . . 0.0 109.629 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 3.5 t -64.15 146.29 54.49 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.76 -174.5 21.75 Favored Glycine 0 CA--C 1.53 1.02 0 C-N-CA 124.883 1.23 . . . . 0.0 111.058 -179.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -74.61 50.54 2.41 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 125.15 3.9 . . . . 0.0 112.634 -179.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 16.5 m -61.13 153.53 25.55 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 126.06 1.744 . . . . 0.0 108.783 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 1.7 p -137.57 158.58 44.08 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.652 -0.869 . . . . 0.0 108.652 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.254 0 N-CA-C 109.243 -1.543 . . . . 0.0 109.243 -179.467 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.488 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 p -161.86 -77.32 0.05 OUTLIER 'General case' 0 C--O 1.234 0.237 0 C-N-CA 124.699 1.199 . . . . 0.0 107.957 178.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.0 t -92.67 83.85 4.93 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 125.067 1.347 . . . . 0.0 108.983 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.9 56.77 0.25 Allowed Glycine 0 C--N 1.339 0.748 0 CA-C-N 119.122 0.873 . . . . 0.0 113.254 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.5 t -68.13 178.86 1.71 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 127.455 2.302 . . . . 0.0 111.712 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.6 p -153.18 -178.26 6.84 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 122.149 0.976 . . . . 0.0 111.914 178.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.69 -29.76 2.02 Favored Glycine 0 CA--C 1.522 0.49 0 C-N-CA 126.016 1.77 . . . . 0.0 114.612 178.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -85.53 62.73 7.66 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 119.211 1.506 . . . . 0.0 107.749 179.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.3 mp -73.41 -32.6 64.52 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 117.882 -1.056 . . . . 0.0 109.533 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.5 m -57.35 -41.34 79.91 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 120.008 1.276 . . . . 0.0 111.005 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.8 m -67.5 -26.18 66.22 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 117.995 0.361 . . . . 0.0 110.48 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -78.94 -30.74 44.82 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 121.221 -0.925 . . . . 0.0 108.97 178.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.416 HG23 HG21 ' A' ' 26' ' ' ILE . 96.6 mt -62.15 -42.48 95.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 104.845 -2.28 . . . . 0.0 104.845 177.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -63.32 -37.47 87.4 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.399 0.679 . . . . 0.0 110.036 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -68.17 -35.17 77.63 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.5 mt -69.98 -44.57 69.15 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 123.86 0.864 . . . . 0.0 108.781 178.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.8 mtt -55.1 -33.65 63.0 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.055 0.843 . . . . 0.0 110.273 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.98 -36.57 68.02 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.927 1.291 . . . . 0.0 111.627 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -76.0 -10.8 59.71 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.725 0.81 . . . . 0.0 112.584 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.78 -11.12 38.3 Favored Glycine 0 CA--C 1.526 0.724 0 C-N-CA 125.355 1.455 . . . . 0.0 111.334 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -51.33 127.08 18.72 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 117.893 0.847 . . . . 0.0 109.521 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.5 m -72.17 145.26 48.19 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 121.245 0.545 . . . . 0.0 110.319 -179.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -56.17 -44.88 79.78 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 125.067 1.347 . . . . 0.0 111.229 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -53.94 -45.76 71.36 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 118.149 0.431 . . . . 0.0 109.888 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -65.62 -47.85 74.26 Favored 'General case' 0 CA--C 1.519 -0.231 0 C-N-CA 123.84 0.856 . . . . 0.0 110.551 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.416 HG21 HG23 ' A' ' 13' ' ' ILE . 59.0 mt -56.19 -46.58 81.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-N 118.58 0.627 . . . . 0.0 109.808 -179.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -63.62 -46.07 87.39 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.705 0.802 . . . . 0.0 111.016 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -60.43 -46.79 88.75 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.67 0.668 . . . . 0.0 109.36 179.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.79 -43.53 85.67 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 118.597 -0.716 . . . . 0.0 109.938 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.1 mt -63.1 -51.24 67.35 Favored 'General case' 0 CA--C 1.521 -0.161 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.6 p -61.38 -43.44 96.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-N 118.262 0.483 . . . . 0.0 111.159 -178.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 62.3 mt -71.13 -33.6 51.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 O-C-N 121.767 -0.583 . . . . 0.0 110.175 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.09 9.5 1.95 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.756 0.707 . . . . 0.0 110.892 178.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.1 m170 57.54 50.92 10.32 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.834 1.654 . . . . 0.0 108.454 -178.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.6 m120 53.09 46.4 26.75 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 126.843 2.057 . . . . 0.0 113.027 179.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -121.48 114.6 21.48 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 124.776 1.23 . . . . 0.0 107.94 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.2 tp -65.18 -40.94 90.39 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 124.172 0.989 . . . . 0.0 112.937 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -67.6 -43.21 81.05 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.864 1.211 . . . . 0.0 110.779 -179.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 8.2 ttt -65.71 -42.8 90.71 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.96 -39.5 90.46 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.2 0.6 . . . . 0.0 111.258 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -55.42 -44.27 76.08 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -60.85 -41.62 96.21 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-O 118.671 -0.68 . . . . 0.0 110.737 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 69.2 mt -58.36 -51.58 69.6 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.7 mt -64.17 -22.9 67.12 Favored 'General case' 0 C--O 1.224 -0.276 0 C-N-CA 123.053 0.541 . . . . 0.0 111.97 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -78.6 -19.69 52.15 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 119.472 1.033 . . . . 0.0 111.841 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -114.52 -49.2 2.83 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -178.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -83.76 -13.2 54.49 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 119.211 0.914 . . . . 0.0 113.084 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.9 t -131.59 178.67 6.56 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -175.82 -169.25 37.21 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 108.901 -1.679 . . . . 0.0 108.901 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -66.65 155.45 70.33 Favored 'Trans proline' 0 N--CA 1.449 -1.146 0 C-N-CA 122.588 2.192 . . . . 0.0 109.998 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.9 m -134.66 99.41 4.32 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 -179.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.2 m -59.66 -16.84 29.3 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 115.192 1.553 . . . . 0.0 115.192 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 117.83 -1.539 . . . . 0.0 110.687 -179.728 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.588 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 88.5 p -167.34 -6.74 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 9.2 t -147.99 127.04 12.83 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 105.775 -1.935 . . . . 0.0 105.775 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.02 141.27 4.02 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 125.336 1.446 . . . . 0.0 110.56 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 40.6 t -138.82 153.38 48.36 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 124.727 1.211 . . . . 0.0 108.892 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 12.0 p -137.23 101.27 4.49 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.35 -61.85 0.13 Allowed Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.221 -1.152 . . . . 0.0 110.221 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -75.71 51.34 0.61 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.585 1.154 . . . . 0.0 112.074 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 9.8 mp -63.51 -17.48 62.82 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 120.707 -1.245 . . . . 0.0 112.512 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 16.4 m -62.09 -37.29 84.52 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 119.655 1.116 . . . . 0.0 108.499 178.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 22.2 m -66.49 -35.65 80.8 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.245 1.018 . . . . 0.0 109.522 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -67.46 -29.9 69.47 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 120.884 -1.135 . . . . 0.0 111.453 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.9 mt -62.8 -41.43 92.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 107.054 -1.462 . . . . 0.0 107.054 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -65.08 -41.4 95.06 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 124.099 0.96 . . . . 0.0 110.203 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 24.8 mtm180 -63.68 -30.36 71.47 Favored 'General case' 0 C--N 1.342 0.269 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 13.5 mt -77.11 -39.85 47.99 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-O 118.144 -0.932 . . . . 0.0 109.13 178.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 38.5 mtt -54.94 -42.15 71.93 Favored 'General case' 0 C--N 1.339 0.142 0 CA-C-N 119.537 1.062 . . . . 0.0 109.352 178.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 32.4 t -56.9 -16.34 6.61 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.661 1.184 . . . . 0.0 112.497 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -95.31 1.89 54.56 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 120.29 1.405 . . . . 0.0 112.876 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.93 -11.69 64.18 Favored Glycine 0 CA--C 1.522 0.513 0 C-N-CA 125.27 1.414 . . . . 0.0 113.102 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -61.06 125.08 22.41 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.64 152.33 42.53 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 123.759 0.823 . . . . 0.0 109.854 -179.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -53.76 -42.35 68.12 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 178.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -62.06 -44.64 96.24 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 118.986 -0.53 . . . . 0.0 111.02 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -56.49 -48.93 76.12 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 124.292 1.037 . . . . 0.0 108.551 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 54.9 mt -60.28 -51.68 70.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 C-N-CA 124.239 1.016 . . . . 0.0 110.48 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -63.99 -40.76 97.1 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.226 0.61 . . . . 0.0 111.644 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -63.62 -41.41 98.28 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 121.345 -0.847 . . . . 0.0 108.932 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.27 -40.37 90.08 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 121.444 -0.785 . . . . 0.0 110.083 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 18.8 mt -62.69 -50.19 72.15 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 118.925 0.784 . . . . 0.0 112.835 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 7.9 p -59.26 -35.66 59.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 118.477 0.58 . . . . 0.0 111.313 -178.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 64.2 mt -79.76 -22.4 12.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 O-C-N 121.648 -0.658 . . . . 0.0 110.762 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.45 16.16 14.17 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 120.685 -1.26 . . . . 0.0 111.523 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 53.5 m170 52.97 44.39 30.49 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 122.334 1.064 . . . . 0.0 109.524 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 4.3 m120 66.67 2.87 2.72 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 127.17 2.188 . . . . 0.0 113.346 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -73.57 110.08 7.58 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 119.967 1.258 . . . . 0.0 109.587 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 5.2 tp -59.18 -47.42 90.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 124.291 1.036 . . . . 0.0 112.524 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -60.34 -48.57 81.19 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 118.913 0.779 . . . . 0.0 110.755 -178.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 18.7 ttt -60.69 -46.7 89.38 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.82 94.49 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.305 0.642 . . . . 0.0 111.605 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -57.36 -40.28 77.75 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.543 0.737 . . . . 0.0 109.971 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -62.47 -40.01 95.26 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 118.766 -0.635 . . . . 0.0 109.818 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 35.5 mt -60.29 -50.88 78.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 179.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 70.4 mt -60.82 -20.18 61.16 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.012 0.925 . . . . 0.0 112.545 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -87.25 -17.3 32.87 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.487 1.04 . . . . 0.0 113.099 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -120.26 -17.83 8.16 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -110.2 -57.22 2.23 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 7.1 t -79.34 -176.62 5.31 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -163.06 -179.96 37.92 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 120.783 -1.198 . . . . 0.0 112.348 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -79.11 83.03 2.35 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 124.001 3.134 . . . . 0.0 110.17 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 40.3 m -60.5 116.86 4.64 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.525 1.13 . . . . 0.0 108.524 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 14.9 m -105.71 -3.82 21.68 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 114.803 1.408 . . . . 0.0 114.803 -178.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.874 0 N-CA-C 106.261 -2.735 . . . . 0.0 106.261 179.661 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.968 0 N-CA-C 110.01 -1.236 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 76.99 117.86 0.06 Allowed 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 126.376 1.87 . . . . 0.0 109.497 -179.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.9 151.85 29.93 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 124.044 0.938 . . . . 0.0 109.413 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.14 -53.76 3.21 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 107.47 -2.252 . . . . 0.0 107.47 178.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 m -108.55 175.22 5.54 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.945 1.298 . . . . 0.0 109.786 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.2 m -126.0 178.21 5.89 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 125.833 1.653 . . . . 0.0 109.556 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.59 -174.35 39.79 Favored Glycine 0 C--O 1.239 0.456 0 O-C-N 121.767 -0.583 . . . . 0.0 112.177 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -69.69 169.53 12.66 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 125.102 1.361 . . . . 0.0 109.587 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.1 mp -62.04 -22.86 66.08 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 121.707 -0.621 . . . . 0.0 109.511 178.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.401 ' HA ' HD12 ' A' ' 13' ' ' ILE . 1.5 m -56.77 -36.72 70.16 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 125.52 1.528 . . . . 0.0 110.168 178.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.9 m -73.41 -22.45 60.23 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 125.681 1.592 . . . . 0.0 111.779 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -81.63 -33.18 31.58 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.106 0.962 . . . . 0.0 108.773 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.499 HD13 HE22 ' A' ' 27' ' ' GLN . 80.9 mt -57.87 -42.09 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 178.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -60.66 -41.35 94.84 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.426 1.09 . . . . 0.0 110.231 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.8 mtm180 -71.72 -29.65 64.78 Favored 'General case' 0 C--N 1.341 0.228 0 O-C-N 121.742 -0.599 . . . . 0.0 110.464 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 26.2 mt -68.05 -34.03 75.68 Favored 'General case' 0 C--N 1.333 -0.142 0 O-C-N 121.407 -0.808 . . . . 0.0 110.255 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 50.8 mtt -60.78 -31.41 70.77 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.733 0.697 . . . . 0.0 109.972 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -67.87 -17.47 64.5 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.99 1.316 . . . . 0.0 111.51 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -93.89 -0.51 55.65 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.64 1.176 . . . . 0.0 110.964 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.8 -5.89 73.24 Favored Glycine 0 CA--C 1.527 0.787 0 CA-C-O 117.26 -1.855 . . . . 0.0 116.257 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -71.51 150.01 45.24 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 120.457 2.128 . . . . 0.0 110.326 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 63.2 m -78.83 160.91 27.13 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 178.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -60.69 -39.67 89.34 Favored 'General case' 0 N--CA 1.456 -0.161 0 O-C-N 121.411 -0.805 . . . . 0.0 109.614 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -60.04 -45.47 92.72 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 118.313 -0.851 . . . . 0.0 110.717 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -58.13 -47.31 83.71 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.427 HG21 HG23 ' A' ' 13' ' ' ILE . 60.7 mt -57.26 -53.45 43.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 C-N-CA 122.994 0.518 . . . . 0.0 109.998 -179.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.499 HE22 HD13 ' A' ' 13' ' ' ILE . 82.3 mm-40 -61.07 -55.44 32.55 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 118.75 -0.643 . . . . 0.0 110.992 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -49.33 -42.82 42.81 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 124.092 0.957 . . . . 0.0 111.651 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.16 -41.3 77.42 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-O 119.086 -0.483 . . . . 0.0 110.363 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.4 mt -61.01 -45.93 92.82 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 118.706 -0.664 . . . . 0.0 110.9 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.7 t -59.44 -54.08 39.38 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 118.497 0.59 . . . . 0.0 109.656 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.406 HD11 ' HG3' ' B' ' 46' ' ' GLU . 38.3 mt -62.98 -25.39 38.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-O 119.351 -0.357 . . . . 0.0 110.969 -179.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.22 10.27 15.14 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.734 1.152 . . . . 0.0 111.624 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 14.9 m170 58.71 37.97 25.04 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.523 1.529 . . . . 0.0 110.291 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.1 m120 85.09 -3.32 0.9 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 129.528 3.131 . . . . 0.0 113.362 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 57.2 t-20 -73.79 108.69 6.77 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 120.113 1.324 . . . . 0.0 113.348 -178.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.0 tp -64.8 -39.79 86.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.735 1.214 . . . . 0.0 113.225 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.4 -41.57 89.13 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 125.077 1.351 . . . . 0.0 111.084 -177.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 15.1 ttt -68.29 -48.45 64.95 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 178.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.68 -38.21 74.75 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 123.213 0.605 . . . . 0.0 110.013 178.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.2 mttt -59.58 -47.32 86.01 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 178.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -57.52 -41.13 80.27 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 59.2 mt -58.96 -55.1 25.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 179.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 90.3 mt -60.58 -17.39 46.13 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.66 0.784 . . . . 0.0 112.631 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -87.12 -39.36 15.61 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-O 118.195 -0.907 . . . . 0.0 112.865 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -96.18 -13.24 23.66 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -110.65 -75.83 0.61 Allowed 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.8 m -71.47 -173.28 0.89 Allowed 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.791 1.636 . . . . 0.0 110.074 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -172.74 -177.96 42.47 Favored Glycine 0 CA--C 1.526 0.749 0 O-C-N 121.044 -1.035 . . . . 0.0 111.056 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -73.46 169.53 22.1 Favored 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 123.405 2.736 . . . . 0.0 110.142 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 39.9 m -144.03 -176.2 4.91 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.229 1.812 . . . . 0.0 108.184 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.5 p -146.96 100.28 3.29 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 120.911 1.687 . . . . 0.0 113.504 -178.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.187 0 C-N-CA 125.925 1.726 . . . . 0.0 109.018 179.215 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.86 0 N-CA-C 109.804 -1.318 . . . . 0.0 109.804 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -47.94 130.31 15.09 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 124.437 1.095 . . . . 0.0 110.698 -178.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 17.6 p -151.66 162.53 40.84 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 124.384 1.074 . . . . 0.0 110.767 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.5 -14.02 15.42 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 127.283 2.373 . . . . 0.0 109.385 178.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 6.1 m -138.13 135.53 35.82 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 125.445 1.498 . . . . 0.0 109.232 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 49.4 m -102.8 177.06 4.96 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.501 1.92 . . . . 0.0 107.186 178.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.38 -158.37 26.71 Favored Glycine 0 CA--C 1.524 0.646 0 CA-C-N 119.906 1.23 . . . . 0.0 113.32 -178.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -70.45 174.54 5.62 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 124.844 1.258 . . . . 0.0 110.459 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 8.7 mp -72.46 -15.46 61.81 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.427 0.691 . . . . 0.0 110.898 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 1.4 p -56.13 -49.3 74.31 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.932 0.893 . . . . 0.0 110.665 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 12.0 m -60.35 -32.73 71.54 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.99 0.916 . . . . 0.0 111.112 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -71.25 -36.74 71.89 Favored 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 120.766 -1.209 . . . . 0.0 110.225 -179.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 80.3 mt -64.25 -47.82 88.19 Favored 'Isoleucine or valine' 0 C--N 1.34 0.161 0 N-CA-C 106.395 -1.706 . . . . 0.0 106.395 178.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -60.14 -36.36 77.36 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 48.2 mtm180 -72.68 -31.87 65.38 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.882 0.765 . . . . 0.0 110.411 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.429 HD21 ' HG2' ' B' ' 41' ' ' LYS . 31.6 mt -71.13 -27.84 63.86 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 118.302 -0.856 . . . . 0.0 111.978 179.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 62.3 mtt -58.58 -37.01 74.89 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.776 1.171 . . . . 0.0 109.72 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 38.7 t -61.59 -30.73 70.87 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.611 1.165 . . . . 0.0 111.128 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -74.14 -7.98 54.53 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 118.185 -0.912 . . . . 0.0 112.942 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.84 -1.03 55.24 Favored Glycine 0 C--N 1.339 0.702 0 C-N-CA 125.357 1.456 . . . . 0.0 113.498 178.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -78.78 121.91 25.36 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 6.6 m -64.96 153.82 39.41 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -54.69 -38.7 67.33 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 121.703 -0.623 . . . . 0.0 112.188 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -57.87 -50.9 71.75 Favored 'General case' 0 C--O 1.223 -0.292 0 C-N-CA 123.304 0.641 . . . . 0.0 110.719 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.38 -46.96 87.23 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 124.608 1.163 . . . . 0.0 110.578 -179.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 44.5 mt -58.96 -48.53 86.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -60.9 -55.86 28.01 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.978 0.911 . . . . 0.0 110.595 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -52.62 -40.7 63.0 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 124.601 1.16 . . . . 0.0 110.724 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.84 -34.42 77.9 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 118.572 -0.728 . . . . 0.0 110.586 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 71.1 mt -67.98 -45.28 74.61 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 119.995 1.27 . . . . 0.0 111.112 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 22.4 t -53.54 -41.02 44.16 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-O 121.521 0.677 . . . . 0.0 110.088 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 27.4 mt -84.45 -37.01 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 C-N-CA 124.6 1.16 . . . . 0.0 112.527 -178.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.43 0.45 25.73 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.813 1.188 . . . . 0.0 112.227 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 26.6 m170 61.02 53.68 3.61 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 125.806 1.642 . . . . 0.0 107.52 -178.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 57.51 14.25 2.21 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 129.109 2.964 . . . . 0.0 113.624 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -77.72 105.86 9.16 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 5.8 tp -58.66 -45.1 90.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 C-N-CA 123.584 0.754 . . . . 0.0 111.147 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -62.33 -50.85 69.98 Favored 'General case' 0 C--N 1.335 -0.045 0 CA-C-N 119.497 1.044 . . . . 0.0 111.79 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 17.4 ttt -58.35 -45.45 88.15 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 124.18 0.992 . . . . 0.0 108.388 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.99 97.8 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 123.12 0.568 . . . . 0.0 110.096 179.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.429 ' HG2' HD21 ' B' ' 16' ' ' LEU . 56.4 mttt -61.61 -38.2 86.74 Favored 'General case' 0 CA--C 1.517 -0.325 0 O-C-N 121.597 -0.689 . . . . 0.0 110.626 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -62.55 -38.7 91.06 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.705 0.802 . . . . 0.0 109.094 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 86.9 mt -60.28 -48.54 87.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 47.8 mt -71.98 14.58 0.2 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.957 1.303 . . . . 0.0 111.76 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -131.5 10.33 4.78 Favored 'General case' 0 N--CA 1.462 0.157 0 O-C-N 120.435 -1.416 . . . . 0.0 112.028 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.406 ' HG3' HD11 ' A' ' 32' ' ' ILE . 53.3 mm-40 -137.46 -47.34 0.56 Allowed 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 126.475 1.91 . . . . 0.0 108.721 179.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -87.87 -80.05 0.28 Allowed 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 107.713 -1.218 . . . . 0.0 107.713 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 58.1 m -69.64 156.35 39.08 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.612 0.765 . . . . 0.0 110.866 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -134.83 -176.42 14.35 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.317 1.437 . . . . 0.0 112.257 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -71.61 173.9 11.83 Favored 'Trans proline' 0 CA--C 1.533 0.462 0 C-N-CA 124.144 3.229 . . . . 0.0 112.592 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 3.6 m -151.46 162.89 40.16 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 124.867 1.267 . . . . 0.0 108.13 178.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 25.9 p -147.8 143.94 27.85 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 108.075 -1.084 . . . . 0.0 108.075 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.401 0 N-CA-C 105.274 -3.13 . . . . 0.0 105.274 -179.326 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.738 0 N-CA-C 110.495 -1.042 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t -110.89 174.91 5.64 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 124.797 1.239 . . . . 0.0 109.195 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.2 t -139.38 97.58 3.32 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 122.364 1.078 . . . . 0.0 109.807 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.2 176.68 48.14 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 127.034 2.254 . . . . 0.0 107.62 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.3 p -48.24 101.58 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 126.865 2.066 . . . . 0.0 109.937 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.4 p -51.01 107.95 0.21 Allowed 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 126.372 1.869 . . . . 0.0 112.731 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.62 175.64 54.79 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 108.933 -1.667 . . . . 0.0 108.933 178.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -55.56 134.4 50.88 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 tp -61.72 -31.22 71.36 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.694 1.133 . . . . 0.0 112.225 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.4 p -63.03 -10.65 14.9 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.9 m -66.39 -31.48 72.28 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 177.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -76.25 -24.15 54.53 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.045 0.938 . . . . 0.0 110.841 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.37 -42.93 97.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -62.68 -30.27 71.27 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.316 0.647 . . . . 0.0 109.884 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -79.05 -34.16 44.03 Favored 'General case' 0 N--CA 1.462 0.138 0 O-C-N 121.176 -0.953 . . . . 0.0 109.202 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.408 HD21 ' HG2' ' A' ' 41' ' ' LYS . 61.6 mt -71.12 -29.08 64.81 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 118.369 -0.824 . . . . 0.0 110.208 179.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 35.7 mtt -58.36 -44.7 88.95 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.4 t -62.12 -23.87 66.8 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.508 1.123 . . . . 0.0 111.411 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -75.17 -3.91 35.73 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 120.198 1.363 . . . . 0.0 111.01 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.62 0.3 60.87 Favored Glycine 0 C--N 1.336 0.529 0 C-N-CA 124.942 1.258 . . . . 0.0 112.984 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -81.17 130.97 35.26 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 118.627 1.213 . . . . 0.0 108.074 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.5 m -70.69 154.3 41.99 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 178.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -53.52 -35.2 60.41 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 124.265 1.026 . . . . 0.0 111.576 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -60.29 -53.8 53.3 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.461 1.104 . . . . 0.0 109.45 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.94 -51.34 70.06 Favored 'General case' 0 N--CA 1.462 0.136 0 C-N-CA 124.526 1.13 . . . . 0.0 109.035 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.6 mt -55.01 -49.06 74.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 C-N-CA 122.834 0.454 . . . . 0.0 110.167 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.5 mm100 -60.51 -55.1 37.54 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 118.607 -0.711 . . . . 0.0 109.959 179.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -49.9 -44.94 50.35 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 119.056 0.844 . . . . 0.0 110.987 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.8 -40.71 96.16 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 118.891 -0.576 . . . . 0.0 110.154 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.6 mt -64.05 -52.42 59.5 Favored 'General case' 0 C--O 1.226 -0.146 0 CA-C-N 118.814 0.734 . . . . 0.0 110.031 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.2 t -56.17 -44.72 79.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 118.695 0.68 . . . . 0.0 111.48 -179.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 72.8 mt -73.01 -26.95 23.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 O-C-N 121.42 -0.8 . . . . 0.0 111.151 -179.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.96 12.62 19.05 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 120.928 -1.107 . . . . 0.0 111.251 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 55.6 m170 53.37 48.96 20.75 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 123.469 1.604 . . . . 0.0 109.694 -178.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.8 m120 60.26 9.64 2.02 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 129.76 3.224 . . . . 0.0 113.772 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 64.0 t-20 -72.28 100.49 2.63 Favored 'General case' 0 CA--C 1.528 0.097 0 CA-C-N 119.354 0.979 . . . . 0.0 108.558 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.9 tp -59.14 -34.95 54.99 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 118.46 0.573 . . . . 0.0 111.862 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -64.64 -40.13 94.91 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 119.561 1.073 . . . . 0.0 111.657 -178.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 23.8 ttt -77.2 -43.39 33.85 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 126.713 2.005 . . . . 0.0 108.274 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.45 -43.77 88.97 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.81 0.844 . . . . 0.0 109.803 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.408 ' HG2' HD21 ' A' ' 16' ' ' LEU . 75.1 mttt -58.71 -34.87 71.8 Favored 'General case' 0 N--CA 1.462 0.171 0 O-C-N 121.579 -0.701 . . . . 0.0 111.109 178.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -64.93 -43.97 91.0 Favored 'General case' 0 C--O 1.227 -0.09 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 69.3 mt -54.34 -53.71 27.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 179.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.52 -15.26 49.49 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -107.66 -10.22 15.69 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 120.039 1.291 . . . . 0.0 114.114 -178.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.411 ' HG3' HD11 ' B' ' 32' ' ' ILE . 5.0 mm-40 -102.38 -35.02 8.96 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 124.143 0.977 . . . . 0.0 109.442 179.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -103.88 -76.57 0.59 Allowed 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.935 0.894 . . . . 0.0 110.135 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.2 m -61.94 174.85 0.77 Allowed 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.426 1.89 . . . . 0.0 112.236 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -154.3 178.76 30.95 Favored Glycine 0 CA--C 1.533 1.21 0 O-C-N 121.685 -0.634 . . . . 0.0 112.994 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -72.0 178.63 5.69 Favored 'Trans proline' 0 CA--C 1.539 0.775 0 C-N-CA 124.393 3.395 . . . . 0.0 111.884 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.3 t -143.23 -169.57 3.07 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 124.176 0.99 . . . . 0.0 109.595 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.7 p -151.54 160.04 43.86 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 128.08 2.552 . . . . 0.0 106.116 178.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.304 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 -179.504 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.091 0 CA-C-O 120.975 0.209 . . . . 0.0 112.704 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.83 91.22 1.53 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.731 1.212 . . . . 0.0 107.877 179.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 16.7 t -59.85 135.65 57.76 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 124.633 1.173 . . . . 0.0 111.285 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.77 -174.44 41.46 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 127.557 2.503 . . . . 0.0 107.932 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 34.8 p -63.58 103.43 0.54 Allowed 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 178.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.46 157.37 11.39 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 124.791 1.236 . . . . 0.0 113.119 -178.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.6 -171.4 20.06 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 125.095 1.331 . . . . 0.0 111.452 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.38 132.14 43.58 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 125.336 1.454 . . . . 0.0 111.15 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 8.7 tp -70.38 -10.17 58.3 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.752 1.221 . . . . 0.0 112.719 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 2.0 p -70.13 -25.2 63.37 Favored 'General case' 0 N--CA 1.456 -0.174 0 O-C-N 121.048 -1.033 . . . . 0.0 111.372 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -62.25 -20.01 63.81 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.841 0.746 . . . . 0.0 112.284 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -85.7 -23.45 27.39 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.155 1.382 . . . . 0.0 111.022 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 89.5 mt -61.12 -47.29 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -60.86 -29.6 69.62 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.628 1.171 . . . . 0.0 111.606 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -69.49 -43.83 72.35 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 20.8 mt -66.5 -27.64 67.93 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.731 0.812 . . . . 0.0 111.233 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 33.9 mtt -61.49 -43.17 99.34 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 178.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 9.5 t -72.36 -21.29 61.32 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 122.161 -0.337 . . . . 0.0 110.775 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -74.03 -3.21 27.93 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 120.964 -1.085 . . . . 0.0 110.901 178.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.45 -0.4 59.81 Favored Glycine 0 C--N 1.339 0.703 0 C-N-CA 125.076 1.322 . . . . 0.0 114.246 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -81.9 135.04 35.44 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 118.816 1.308 . . . . 0.0 109.936 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 47.1 m -75.74 152.56 37.39 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.011 -0.736 . . . . 0.0 109.011 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -50.16 -42.65 51.37 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 19.3 mp0 -59.03 -53.52 57.51 Favored 'General case' 0 C--O 1.226 -0.133 0 C-N-CA 123.205 0.602 . . . . 0.0 110.169 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.4 -47.16 76.3 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 124.874 1.27 . . . . 0.0 109.043 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 70.8 mt -58.34 -52.0 64.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 122.946 0.498 . . . . 0.0 109.951 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 -62.46 -42.04 99.19 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 119.155 -0.45 . . . . 0.0 111.577 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -59.17 -47.51 85.04 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 123.296 0.639 . . . . 0.0 109.661 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.37 -40.56 94.76 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 120.472 -0.491 . . . . 0.0 109.821 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 12.0 mt -63.0 -54.41 38.66 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 118.672 -0.68 . . . . 0.0 112.129 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 8.3 p -58.78 -47.03 90.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 118.297 0.499 . . . . 0.0 111.846 -178.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.411 HD11 ' HG3' ' A' ' 46' ' ' GLU . 54.4 mt -64.09 -32.72 58.46 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-O 119.25 -0.405 . . . . 0.0 110.385 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.15 8.03 14.32 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.806 0.73 . . . . 0.0 111.668 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 3.7 m170 56.7 53.57 8.22 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.981 1.712 . . . . 0.0 107.524 -178.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 12.0 m120 67.26 -2.53 1.21 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 128.146 2.579 . . . . 0.0 113.514 -179.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -67.33 104.14 1.43 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 120.545 1.52 . . . . 0.0 110.946 -178.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 4.8 tp -56.36 -43.39 77.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 C-N-CA 125.284 1.433 . . . . 0.0 113.66 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -67.35 -49.48 63.87 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 125.096 1.358 . . . . 0.0 110.318 -178.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 14.3 ttt -61.21 -43.49 98.79 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.87 1.268 . . . . 0.0 108.069 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.68 -43.43 98.83 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.172 0.989 . . . . 0.0 109.935 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -58.69 -39.21 80.08 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 121.426 -0.796 . . . . 0.0 109.069 178.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -61.05 -40.16 92.58 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 118.556 0.616 . . . . 0.0 109.503 179.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 68.0 mt -59.25 -52.23 63.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 178.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 97.5 mt -61.52 -23.23 65.79 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.417 0.687 . . . . 0.0 112.268 179.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -81.24 -42.1 21.24 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 117.635 -1.174 . . . . 0.0 112.24 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -94.29 -15.5 24.42 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 -178.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -113.95 -69.0 0.89 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 119.597 1.089 . . . . 0.0 111.525 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 8.5 t -67.61 177.06 2.14 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.972 0.909 . . . . 0.0 111.081 -179.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -165.86 168.18 39.55 Favored Glycine 0 CA--C 1.533 1.157 0 O-C-N 121.499 -0.751 . . . . 0.0 111.565 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -68.53 173.29 10.04 Favored 'Trans proline' 0 CA--C 1.536 0.609 0 C-N-CA 124.008 3.139 . . . . 0.0 111.361 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.96 -171.46 2.53 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.566 1.547 . . . . 0.0 109.592 -179.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 62.9 p -140.49 149.44 42.5 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 178.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.876 0 N-CA-C 103.604 -3.798 . . . . 0.0 103.604 -177.834 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.764 0 N-CA-C 110.279 -1.128 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 p -73.48 -82.55 0.05 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.617 1.567 . . . . 0.0 109.175 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t -67.58 -21.76 65.41 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.511 0.724 . . . . 0.0 111.016 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.1 -164.66 52.94 Favored Glycine 0 C--N 1.337 0.617 0 N-CA-C 110.222 -1.151 . . . . 0.0 110.222 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 m -87.34 -37.13 17.39 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 123.907 0.883 . . . . 0.0 112.064 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 m -74.67 158.82 32.95 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 121.477 -0.764 . . . . 0.0 112.103 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.78 70.34 0.03 OUTLIER Glycine 0 CA--C 1.519 0.332 0 N-CA-C 108.598 -1.801 . . . . 0.0 108.598 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -120.58 76.32 1.19 Allowed 'General case' 0 C--O 1.231 0.132 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.8 mp -66.33 -20.78 66.18 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -178.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.8 m -54.12 -43.05 70.13 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 119.533 1.061 . . . . 0.0 110.611 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.9 m -62.68 -27.01 68.95 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.149 0.98 . . . . 0.0 111.389 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -82.1 -27.85 32.63 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.052 0.941 . . . . 0.0 110.271 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.472 HG23 HG21 ' A' ' 26' ' ' ILE . 74.5 mt -62.27 -44.81 99.57 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 N-CA-C 105.047 -2.205 . . . . 0.0 105.047 178.006 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -61.69 -35.48 78.11 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.336 -0.853 . . . . 0.0 110.66 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.6 mmp_? -64.0 -46.15 85.8 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.6 mt -66.23 -36.31 82.69 Favored 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 124.928 1.291 . . . . 0.0 111.483 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 49.9 mtt -58.33 -29.84 66.23 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 119.262 0.937 . . . . 0.0 110.398 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -72.64 6.3 2.55 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.547 1.939 . . . . 0.0 113.271 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -115.74 -3.09 12.28 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 126.103 1.761 . . . . 0.0 111.861 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.8 -15.36 55.65 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 125.004 1.288 . . . . 0.0 112.548 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -64.63 119.99 11.56 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 119.187 1.494 . . . . 0.0 109.691 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 59.3 m -71.42 158.98 35.33 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -51.6 -40.24 59.48 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 121.668 -0.645 . . . . 0.0 112.218 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -49.72 -58.97 4.27 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.514 1.126 . . . . 0.0 110.536 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.23 -47.14 87.45 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 126.228 1.811 . . . . 0.0 110.378 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.472 HG21 HG23 ' A' ' 13' ' ' ILE . 60.7 mt -56.52 -47.64 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 119.255 0.934 . . . . 0.0 110.325 -179.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -63.69 -52.43 60.67 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-O 117.566 -1.207 . . . . 0.0 109.34 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -50.23 -41.83 50.72 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.257 1.39 . . . . 0.0 110.725 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.54 -50.14 66.31 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.232 0.613 . . . . 0.0 109.941 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.4 mt -60.92 -45.85 93.01 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 118.812 0.733 . . . . 0.0 111.37 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.3 t -56.21 -55.32 19.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 C-N-CA 126.739 2.016 . . . . 0.0 109.451 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.9 mt -67.53 -22.46 28.66 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.868 0 O-C-N 121.689 -0.632 . . . . 0.0 110.206 -178.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.0 9.07 29.34 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 125.225 1.41 . . . . 0.0 113.086 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 18.8 m170 56.23 40.09 30.07 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 118.652 0.66 . . . . 0.0 109.34 -178.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 66.25 24.88 10.64 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 127.129 2.172 . . . . 0.0 114.632 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -92.05 109.78 21.14 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 177.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.9 tp -68.44 -39.98 81.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-O 118.631 -0.699 . . . . 0.0 112.141 -179.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -57.09 -44.36 83.09 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 119.218 0.917 . . . . 0.0 109.684 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.5 ttt -65.79 -54.92 20.59 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 126.632 1.973 . . . . 0.0 109.003 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.95 -40.34 69.85 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.013 0.525 . . . . 0.0 111.616 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.0 mttm -58.67 -44.13 90.11 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 117.879 -1.057 . . . . 0.0 110.522 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -64.73 -43.6 92.84 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 118.829 0.741 . . . . 0.0 110.152 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.413 HG13 HG21 ' B' ' 32' ' ' ILE . 71.4 mt -58.37 -50.9 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -179.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 82.0 mt -61.87 -43.12 99.49 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 54.3 ttt85 -63.57 -35.35 80.2 Favored 'General case' 0 C--O 1.226 -0.184 0 CA-C-O 118.118 -0.944 . . . . 0.0 111.924 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -85.55 -69.2 0.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 119.721 1.146 . . . . 0.0 112.78 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -65.43 -51.14 62.36 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 125.099 1.36 . . . . 0.0 114.631 -177.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.0 t -88.92 14.13 11.18 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.227 1.411 . . . . 0.0 111.815 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -105.39 -169.74 23.83 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 120.796 -1.19 . . . . 0.0 114.376 -178.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -71.81 -24.6 21.13 Favored 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 122.692 2.261 . . . . 0.0 114.983 -179.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.7 t -68.24 120.58 14.63 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 126.305 1.842 . . . . 0.0 110.715 -179.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 53.5 m -80.86 -120.82 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.504 1.122 . . . . 0.0 109.848 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.267 0 N-CA-C 107.195 -2.362 . . . . 0.0 107.195 179.678 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.956 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 66.5 m -127.51 -18.25 4.44 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.937 1.295 . . . . 0.0 112.208 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -139.62 6.92 2.3 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.014 1.726 . . . . 0.0 110.187 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.24 -146.27 45.97 Favored Glycine 0 C--N 1.339 0.717 0 C-N-CA 125.446 1.498 . . . . 0.0 110.681 -179.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 13.7 m -109.87 -65.52 1.15 Allowed 'General case' 0 C--O 1.234 0.258 0 N-CA-C 105.681 -1.97 . . . . 0.0 105.681 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 70.0 m -64.9 150.36 47.94 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 178.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.31 60.65 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 42.1 mm-40 -91.27 150.17 21.44 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 107.2 -1.408 . . . . 0.0 107.2 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mp -114.19 -17.37 11.89 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 51.1 m -59.25 -42.72 91.79 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 119.975 1.262 . . . . 0.0 111.89 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 9.9 m -63.07 -20.46 65.36 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.137 0.575 . . . . 0.0 111.545 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -88.06 -29.38 20.7 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 123.618 0.767 . . . . 0.0 109.03 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 88.8 mt -65.62 -43.95 93.8 Favored 'Isoleucine or valine' 0 C--N 1.345 0.397 0 N-CA-C 104.184 -2.524 . . . . 0.0 104.184 177.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -56.82 -45.29 82.38 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.425 1.09 . . . . 0.0 109.158 178.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 8.1 mmp_? -61.62 -44.75 96.4 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 21.8 mt -65.49 -29.78 70.48 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.502 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 7.6 mtt -62.76 -42.75 99.83 Favored 'General case' 0 C--N 1.34 0.16 0 CA-C-N 120.361 1.437 . . . . 0.0 108.279 178.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 29.9 t -58.33 -26.11 62.71 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.657 0.783 . . . . 0.0 110.99 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -68.43 -13.39 62.27 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 119.922 -1.736 . . . . 0.0 110.451 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.35 -3.39 56.58 Favored Glycine 0 CA--C 1.526 0.771 0 C-N-CA 126.423 1.963 . . . . 0.0 114.27 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -69.56 165.07 21.86 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 118.927 1.363 . . . . 0.0 112.443 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 66.5 m -80.9 151.84 28.4 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.638 1.575 . . . . 0.0 109.603 178.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -58.09 -45.36 87.29 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 119.324 0.965 . . . . 0.0 110.659 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -55.08 -51.09 67.48 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 124.723 1.209 . . . . 0.0 111.302 -179.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.82 -37.22 73.41 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.937 0.895 . . . . 0.0 110.634 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 75.3 mt -63.3 -48.71 86.11 Favored 'Isoleucine or valine' 0 C--O 1.231 0.082 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -62.52 -45.31 93.58 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-O 119.054 -0.498 . . . . 0.0 110.494 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -58.53 -48.06 82.12 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 123.338 0.655 . . . . 0.0 109.995 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.23 -38.69 91.19 Favored 'General case' 0 C--O 1.226 -0.136 0 CA-C-N 118.984 0.811 . . . . 0.0 110.463 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 19.2 mt -62.0 -52.41 64.09 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 118.349 -0.834 . . . . 0.0 110.814 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 11.1 p -60.46 -48.22 89.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-N 118.761 0.71 . . . . 0.0 111.368 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.413 HG21 HG13 ' A' ' 43' ' ' ILE . 56.8 mt -63.31 -31.02 51.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 CA-C-N 118.868 0.758 . . . . 0.0 109.583 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.31 7.9 10.4 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.305 1.042 . . . . 0.0 111.566 178.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 58.5 m170 55.16 43.61 29.15 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.052 1.341 . . . . 0.0 107.881 -177.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 67.2 8.91 6.55 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 129.127 2.971 . . . . 0.0 113.664 -178.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -74.64 106.28 6.14 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 121.159 1.8 . . . . 0.0 106.749 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 8.8 tp -59.89 -39.71 80.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 124.3 1.04 . . . . 0.0 113.045 -179.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -68.97 -45.06 71.62 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 119.258 0.936 . . . . 0.0 109.09 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 11.4 ttt -59.69 -46.49 88.92 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 178.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.08 97.17 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -56.0 -37.46 69.17 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-O 117.973 -1.013 . . . . 0.0 108.933 178.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -66.28 -51.24 59.42 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.585 1.084 . . . . 0.0 108.341 178.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 65.3 mt -50.01 -52.78 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-O 121.972 0.892 . . . . 0.0 108.742 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 76.5 mt -65.51 -35.36 80.63 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 124.859 1.264 . . . . 0.0 114.179 -178.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 33.1 ttt85 -71.02 -27.04 63.39 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 120.525 1.512 . . . . 0.0 112.648 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -91.88 -78.66 0.4 Allowed 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -57.73 -61.06 2.79 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 125.823 1.649 . . . . 0.0 114.506 -178.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 4.0 t -76.43 4.05 9.87 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 118.822 0.737 . . . . 0.0 110.494 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.11 -173.6 40.62 Favored Glycine 0 N--CA 1.441 -0.981 0 C-N-CA 124.529 1.061 . . . . 0.0 111.994 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -73.59 12.3 0.91 Allowed 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 125.191 3.927 . . . . 0.0 112.536 179.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 3.9 t -70.02 171.66 9.15 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 121.107 -0.996 . . . . 0.0 108.929 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 19.8 m -132.96 -18.92 2.3 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 114.417 1.265 . . . . 0.0 114.417 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.169 0 N-CA-C 106.824 -2.511 . . . . 0.0 106.824 -178.562 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.772 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -59.44 122.48 14.08 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.8 p -134.68 -2.91 2.64 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 124.612 1.165 . . . . 0.0 112.498 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.6 141.1 6.78 Favored Glycine 0 C--N 1.338 0.667 0 CA-C-N 119.415 1.007 . . . . 0.0 112.612 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 m -79.32 167.46 20.87 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.708 0.803 . . . . 0.0 110.443 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.17 177.99 8.74 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 124.704 1.201 . . . . 0.0 109.463 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.69 -106.39 2.05 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 105.642 -2.983 . . . . 0.0 105.642 -178.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -86.89 115.8 24.54 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 117.599 0.7 . . . . 0.0 109.151 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.6 tp -93.02 -18.45 22.66 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.587 1.155 . . . . 0.0 109.0 178.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 61.6 m -57.12 -28.7 62.92 Favored 'General case' 0 C--N 1.342 0.276 0 C-N-CA 124.567 1.147 . . . . 0.0 110.829 178.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.6 -8.92 4.97 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 125.935 1.694 . . . . 0.0 113.17 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -111.46 -25.87 9.38 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.131 1.772 . . . . 0.0 108.918 178.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.463 HG23 HG21 ' A' ' 26' ' ' ILE . 59.0 mt -67.57 -45.41 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 N-CA-C 105.416 -2.068 . . . . 0.0 105.416 177.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -59.71 -28.84 67.67 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.593 0.757 . . . . 0.0 111.353 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -75.76 -38.49 58.33 Favored 'General case' 0 CA--C 1.513 -0.48 0 C-N-CA 123.85 0.86 . . . . 0.0 110.485 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.3 mt -62.15 -38.72 90.07 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 41.4 mtt -60.18 -29.02 68.42 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 118.322 0.51 . . . . 0.0 111.195 179.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 t -61.7 -44.29 97.21 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 124.717 1.207 . . . . 0.0 111.466 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -67.1 -22.88 65.8 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 117.914 -1.041 . . . . 0.0 112.549 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 125.28 13.37 3.56 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 124.56 1.076 . . . . 0.0 113.171 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -83.36 177.07 8.66 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 119.234 1.517 . . . . 0.0 110.623 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.1 t -127.56 152.42 47.64 Favored 'General case' 0 CA--C 1.518 -0.281 0 O-C-N 121.42 -0.8 . . . . 0.0 110.977 -178.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -53.48 -37.72 62.97 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 122.891 0.477 . . . . 0.0 111.414 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -60.63 -61.91 2.25 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 118.495 0.589 . . . . 0.0 110.867 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -56.51 -46.9 80.3 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 123.667 0.787 . . . . 0.0 109.732 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.463 HG21 HG23 ' A' ' 13' ' ' ILE . 57.4 mt -54.37 -48.64 68.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-N 119.972 1.26 . . . . 0.0 110.044 179.244 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -64.83 -39.13 93.08 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 118.462 -0.78 . . . . 0.0 112.035 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -61.54 -42.74 99.28 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 178.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.47 -44.08 88.29 Favored 'General case' 0 C--O 1.226 -0.174 0 O-C-N 121.461 -0.774 . . . . 0.0 109.85 179.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.2 mt -62.2 -32.34 72.98 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 118.014 -0.993 . . . . 0.0 113.393 -179.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.7 p -76.9 -47.33 27.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.145 0 CA-C-N 119.891 1.223 . . . . 0.0 109.747 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 76.4 mt -64.85 -32.73 59.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.49 6.07 9.38 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.968 0.907 . . . . 0.0 111.638 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.9 m170 55.78 51.37 12.47 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.725 1.61 . . . . 0.0 109.473 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.3 m120 64.22 14.38 8.61 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 127.582 2.353 . . . . 0.0 113.363 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -85.69 103.97 14.99 Favored 'General case' 0 C--O 1.232 0.154 0 O-C-N 120.469 -1.394 . . . . 0.0 109.062 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.4 tp -61.55 -37.81 78.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 123.888 0.875 . . . . 0.0 111.876 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -65.93 -51.76 55.73 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 119.475 1.034 . . . . 0.0 109.105 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.408 ' HE2' ' HA ' ' B' ' 33' ' ' ALA . 6.1 ttt -57.66 -47.2 82.95 Favored 'General case' 0 C--N 1.334 -0.072 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 179.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.56 -45.09 92.84 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 122.96 0.504 . . . . 0.0 110.353 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.4 mttm -57.42 -37.58 72.98 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 119.574 1.079 . . . . 0.0 109.935 179.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -65.1 -43.86 90.7 Favored 'General case' 0 C--O 1.226 -0.161 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 178.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 82.8 mt -58.92 -53.28 49.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 22.5 mt -57.6 -29.11 64.22 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.069 0.947 . . . . 0.0 110.428 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -78.11 -63.4 1.4 Allowed 'General case' 0 C--O 1.224 -0.255 0 O-C-N 120.964 -1.085 . . . . 0.0 111.224 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -64.8 -27.34 68.82 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 -177.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -108.31 -53.91 2.57 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 119.141 0.882 . . . . 0.0 113.376 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.68 -10.32 59.3 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 120.401 -0.52 . . . . 0.0 111.486 -179.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -103.88 -175.62 25.71 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 125.048 1.308 . . . . 0.0 110.033 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -78.41 -163.63 0.23 Allowed 'Trans proline' 0 CA--C 1.542 0.901 0 C-N-CA 124.336 3.357 . . . . 0.0 110.028 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.1 t -121.73 3.82 10.06 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.073 1.349 . . . . 0.0 109.893 178.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.6 m -148.17 54.5 1.03 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.854 2.062 . . . . 0.0 107.287 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.961 0 N-CA-C 107.654 -2.178 . . . . 0.0 107.654 -179.758 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.663 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.0 t -70.45 142.07 52.01 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.062 0.931 . . . . 0.0 110.397 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.7 p -121.52 1.67 10.11 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.169 1.788 . . . . 0.0 112.55 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.38 165.24 11.43 Favored Glycine 0 CA--C 1.527 0.834 0 C-N-CA 124.877 1.227 . . . . 0.0 111.104 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 22.6 p -80.19 179.62 7.55 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.964 1.306 . . . . 0.0 109.435 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -163.59 163.21 24.57 Favored 'General case' 0 C--O 1.234 0.242 0 O-C-N 120.842 -1.161 . . . . 0.0 109.434 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.95 -36.89 3.51 Favored Glycine 0 C--N 1.333 0.368 0 CA-C-O 118.252 -1.304 . . . . 0.0 113.878 178.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -145.83 77.05 1.49 Allowed 'General case' 0 N--CA 1.457 -0.118 0 CA-C-N 119.693 1.746 . . . . 0.0 108.644 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 mp -62.98 -21.89 66.45 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 121.373 -0.83 . . . . 0.0 111.331 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 40.2 m -60.4 -24.75 65.39 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.025 0.83 . . . . 0.0 110.782 178.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 19.9 m -61.06 -34.6 75.15 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 121.092 -1.005 . . . . 0.0 110.783 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -80.73 -24.98 38.37 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.55 -0.718 . . . . 0.0 110.47 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.428 HG23 HG21 ' B' ' 26' ' ' ILE . 57.5 mt -61.97 -44.63 99.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 N-CA-C 105.55 -2.018 . . . . 0.0 105.55 178.368 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -65.38 -32.42 74.04 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.56 -0.712 . . . . 0.0 111.592 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -69.05 -37.25 78.46 Favored 'General case' 0 C--O 1.232 0.177 0 O-C-N 121.14 -0.975 . . . . 0.0 108.618 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 14.4 mt -68.03 -45.19 74.67 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 43.8 mtt -49.88 -36.71 28.21 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.921 0.888 . . . . 0.0 111.812 179.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -55.22 -27.98 49.93 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.04 1.736 . . . . 0.0 112.85 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -78.9 -8.17 58.62 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.666 1.186 . . . . 0.0 112.057 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.85 11.97 29.06 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.387 1.47 . . . . 0.0 110.255 -178.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -80.58 162.44 24.27 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-N 118.743 1.272 . . . . 0.0 108.862 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 29.2 t -117.65 155.39 29.98 Favored 'General case' 0 CA--C 1.52 -0.186 0 C-N-CA 124.001 0.92 . . . . 0.0 109.59 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -53.49 -36.5 61.76 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.42 1.088 . . . . 0.0 110.34 178.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -57.95 -57.75 11.42 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 122.791 0.436 . . . . 0.0 110.992 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -64.62 -45.14 88.17 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.271 1.029 . . . . 0.0 111.06 -179.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.428 HG21 HG23 ' B' ' 13' ' ' ILE . 35.4 mt -55.09 -48.81 75.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 CA-C-N 119.513 1.051 . . . . 0.0 109.48 179.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -65.79 -45.86 80.85 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.634 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -54.56 -35.19 62.99 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 120.195 1.361 . . . . 0.0 111.335 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.39 -48.57 40.42 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 18.6 mt -53.63 -44.87 69.9 Favored 'General case' 0 C--N 1.338 0.099 0 CA-C-O 118.357 -0.83 . . . . 0.0 110.776 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 93.5 t -55.04 -50.53 62.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 123.804 0.841 . . . . 0.0 110.767 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 40.5 mt -68.5 -31.1 49.79 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 C-N-CA 123.781 0.833 . . . . 0.0 110.409 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.408 ' HA ' ' HE2' ' A' ' 39' ' ' MET . . . -83.13 14.07 3.69 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-O 117.816 -1.088 . . . . 0.0 111.772 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 27.0 m170 55.2 39.24 31.34 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 120.848 1.658 . . . . 0.0 109.303 -178.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 m120 64.79 10.66 6.25 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 127.95 2.5 . . . . 0.0 112.321 -179.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -72.53 104.52 3.87 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 6.4 tp -63.61 -38.12 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 O-C-N 121.645 -0.659 . . . . 0.0 112.356 -179.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -62.37 -49.28 76.16 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 119.074 0.852 . . . . 0.0 109.379 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 8.9 ttt -62.31 -48.45 79.81 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.61 -43.47 84.78 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 121.702 -0.623 . . . . 0.0 110.841 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -56.64 -35.82 68.8 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.593 0.757 . . . . 0.0 109.464 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -67.75 -47.58 68.83 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 26.3 mt -54.52 -58.15 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.006 0.923 . . . . 0.0 108.573 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 15.2 mt -53.72 -41.99 67.62 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 126.87 2.068 . . . . 0.0 110.919 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 54.5 ttt180 -62.38 -40.95 98.13 Favored 'General case' 0 C--O 1.227 -0.105 0 CA-C-N 119.138 0.881 . . . . 0.0 112.079 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -87.95 -58.26 2.63 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 -178.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -72.83 -21.66 60.92 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 116.043 1.868 . . . . 0.0 116.043 -177.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 4.8 t -120.27 -6.54 9.87 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 118.74 0.7 . . . . 0.0 111.52 -178.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -111.41 -177.37 20.32 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 125.373 1.463 . . . . 0.0 110.661 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -73.21 141.26 32.08 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.969 2.446 . . . . 0.0 113.484 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 4.7 t -75.05 -15.63 60.62 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.773 0.829 . . . . 0.0 111.703 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 15.7 m -126.39 1.57 7.0 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.069 0.948 . . . . 0.0 113.14 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.208 0 N-CA-C 109.132 -1.587 . . . . 0.0 109.132 -179.783 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.237 0 N-CA-C 112.295 -0.322 . . . . 0.0 112.295 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.8 t -146.8 153.91 40.74 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 124.662 1.185 . . . . 0.0 109.778 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.3 p -67.61 151.94 46.46 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 123.533 0.733 . . . . 0.0 111.099 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.83 -3.55 43.3 Favored Glycine 0 CA--C 1.533 1.218 0 O-C-N 121.52 -0.737 . . . . 0.0 113.092 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t -76.57 153.96 34.91 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 119.095 1.448 . . . . 0.0 108.94 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 p -75.47 -48.27 23.44 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 124.975 1.31 . . . . 0.0 111.324 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.48 -41.15 1.94 Allowed Glycine 0 CA--C 1.527 0.8 0 N-CA-C 108.203 -1.959 . . . . 0.0 108.203 -178.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -61.18 135.27 57.69 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 123.772 0.829 . . . . 0.0 110.639 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.9 mp -70.96 -19.86 62.51 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.18 0.592 . . . . 0.0 111.592 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.6 m -51.75 -49.63 62.21 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 125.32 1.448 . . . . 0.0 112.495 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.4 m -70.92 -18.19 62.66 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -179.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -81.71 -30.05 32.73 Favored 'General case' 0 N--CA 1.458 -0.053 0 O-C-N 121.18 -0.95 . . . . 0.0 110.252 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.2 mt -62.37 -40.1 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 N-CA-C 105.516 -2.031 . . . . 0.0 105.516 178.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -59.73 -48.4 81.84 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 53.5 mtm180 -65.39 -23.01 66.86 Favored 'General case' 0 C--N 1.342 0.262 0 O-C-N 121.819 -0.551 . . . . 0.0 111.545 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 26.1 mt -76.83 -33.98 57.91 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 119.848 1.204 . . . . 0.0 108.303 178.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 30.3 mtt -62.01 -33.96 75.32 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 108.199 -1.038 . . . . 0.0 108.199 178.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.2 m -60.14 -39.85 87.77 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.154 1.382 . . . . 0.0 109.725 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -69.67 -8.78 50.68 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.213 1.005 . . . . 0.0 111.86 178.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.54 -6.94 45.73 Favored Glycine 0 CA--C 1.524 0.625 0 C-N-CA 125.58 1.562 . . . . 0.0 114.435 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -62.57 143.09 57.64 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -178.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.8 m -81.64 146.22 30.18 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.265 1.426 . . . . 0.0 107.614 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -54.0 -45.13 71.38 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.445 1.098 . . . . 0.0 111.082 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -57.96 -54.32 48.23 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 123.264 0.626 . . . . 0.0 109.601 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -56.04 -44.97 79.31 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.07 0.548 . . . . 0.0 110.188 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 60.5 mt -58.76 -56.51 16.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 O-C-N 121.168 -0.958 . . . . 0.0 109.755 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -56.46 -45.71 80.71 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 118.707 -0.663 . . . . 0.0 111.874 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -60.96 -42.59 98.57 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.082 0.953 . . . . 0.0 109.597 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.25 -45.55 84.13 Favored 'General case' 0 CA--C 1.528 0.125 0 O-C-N 121.169 -0.957 . . . . 0.0 110.546 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 47.6 mt -61.35 -46.99 87.94 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 114.471 1.285 . . . . 0.0 114.471 -178.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.8 p -61.9 -45.89 97.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 118.109 0.413 . . . . 0.0 109.946 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.585 HD11 ' HG3' ' B' ' 46' ' ' GLU . 87.2 mt -67.27 -37.93 79.99 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 O-C-N 121.942 -0.474 . . . . 0.0 110.2 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.63 2.83 4.62 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 118.585 -0.722 . . . . 0.0 111.817 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 32.8 m170 58.4 59.64 2.91 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.482 1.913 . . . . 0.0 108.7 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 52.29 40.61 29.48 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 126.337 1.855 . . . . 0.0 112.605 178.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -115.98 99.29 7.16 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.6 tp -60.71 -36.22 69.4 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.164 0 C-N-CA 124.525 1.13 . . . . 0.0 111.756 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -67.61 -50.9 55.86 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 123.827 0.851 . . . . 0.0 109.187 -179.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 17.7 ttt -61.06 -46.36 91.0 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.45 -36.71 83.32 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 121.324 -0.86 . . . . 0.0 111.152 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -61.42 -34.09 74.8 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.427 1.012 . . . . 0.0 109.349 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -65.07 -50.81 64.7 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 178.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 53.1 mt -54.3 -56.2 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 C-N-CA 123.992 0.917 . . . . 0.0 109.18 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.0 mt -55.01 -25.35 29.55 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.994 0.917 . . . . 0.0 112.934 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -91.26 -49.03 6.58 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 120.764 1.62 . . . . 0.0 110.35 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -67.77 -28.54 67.7 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 117.952 -1.023 . . . . 0.0 113.47 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -112.73 -21.98 10.94 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.1 m -126.55 16.18 7.6 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.487 1.04 . . . . 0.0 112.766 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -135.6 167.07 24.37 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 125.947 1.737 . . . . 0.0 108.788 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -74.73 138.2 23.41 Favored 'Trans proline' 0 N--CA 1.449 -1.133 0 C-N-CA 122.33 2.02 . . . . 0.0 110.621 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.3 t -81.38 67.4 7.3 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 106.642 -1.614 . . . . 0.0 106.642 178.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.3 m -64.99 -9.83 24.68 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.346 1.058 . . . . 0.0 112.167 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.917 0 N-CA-C 106.883 -2.487 . . . . 0.0 106.883 179.595 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.953 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 45.1 t -157.03 164.97 37.38 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 124.952 1.301 . . . . 0.0 107.685 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.0 p -71.73 148.09 46.72 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.78 28.29 62.89 Favored Glycine 0 CA--C 1.532 1.112 0 CA-C-O 119.181 -0.788 . . . . 0.0 112.529 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -99.83 106.33 18.18 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 105.009 -2.219 . . . . 0.0 105.009 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 88.9 p -66.84 -5.89 14.15 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.131 1.772 . . . . 0.0 114.662 -178.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.46 -40.09 3.09 Favored Glycine 0 CA--C 1.526 0.738 0 CA-C-O 118.638 -1.09 . . . . 0.0 111.589 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -60.87 163.01 6.14 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 118.784 1.292 . . . . 0.0 111.306 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 7.4 mp -108.21 -13.4 14.92 Favored 'General case' 0 C--O 1.226 -0.174 0 N-CA-C 113.229 0.826 . . . . 0.0 113.229 -178.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 1.8 p -56.73 -59.2 5.37 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 124.584 1.153 . . . . 0.0 110.297 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 18.0 m -61.43 -21.34 64.04 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 122.848 0.459 . . . . 0.0 111.669 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -75.48 -26.6 58.32 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 120.695 -1.253 . . . . 0.0 110.802 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 77.9 mt -66.57 -45.08 89.58 Favored 'Isoleucine or valine' 0 C--N 1.341 0.238 0 N-CA-C 104.36 -2.459 . . . . 0.0 104.36 177.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -61.49 -40.18 93.63 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.911 0.885 . . . . 0.0 108.913 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 32.7 mtm180 -64.98 -33.0 74.99 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 119.133 0.879 . . . . 0.0 109.958 178.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 23.1 mt -70.27 -35.87 74.03 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 118.966 0.803 . . . . 0.0 108.997 178.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 53.9 mtt -56.12 -32.0 63.82 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 118.725 0.693 . . . . 0.0 110.904 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 6.4 m -60.7 -28.62 68.77 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.93 0.892 . . . . 0.0 111.84 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -80.77 -10.29 59.74 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 118.886 0.766 . . . . 0.0 110.719 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.05 3.63 48.39 Favored Glycine 0 CA--C 1.524 0.597 0 C-N-CA 124.883 1.23 . . . . 0.0 112.604 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -65.43 155.34 35.8 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 119.908 1.854 . . . . 0.0 110.189 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 30.8 t -92.25 143.04 26.82 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.727 1.611 . . . . 0.0 108.286 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -55.66 -39.18 70.57 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.754 0.822 . . . . 0.0 110.334 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -60.92 -51.64 68.4 Favored 'General case' 0 C--N 1.339 0.142 0 C-N-CA 122.744 0.418 . . . . 0.0 110.996 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -61.91 -42.01 98.58 Favored 'General case' 0 N--CA 1.46 0.063 0 CA-C-N 117.923 0.329 . . . . 0.0 110.247 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 39.8 mt -61.02 -47.73 92.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-N 118.717 0.689 . . . . 0.0 109.448 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -60.07 -54.45 45.77 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.264 0.626 . . . . 0.0 109.342 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -53.47 -35.65 60.77 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 121.598 -0.688 . . . . 0.0 110.934 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.4 -52.17 29.56 Favored 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 123.696 0.799 . . . . 0.0 109.623 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 24.4 mt -53.95 -46.13 71.48 Favored 'General case' 0 CA--C 1.52 -0.207 0 C-N-CA 124.304 1.042 . . . . 0.0 111.632 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 93.1 t -55.53 -56.84 9.86 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 124.1 0.96 . . . . 0.0 109.458 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 53.0 mt -64.43 -26.44 40.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 C-N-CA 123.905 0.882 . . . . 0.0 111.384 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.42 7.42 25.88 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.571 1.148 . . . . 0.0 111.267 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 19.0 m170 55.12 50.14 15.9 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.764 1.226 . . . . 0.0 109.951 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 54.5 52.7 11.89 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 125.984 1.714 . . . . 0.0 111.275 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -123.71 110.71 15.29 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.636 1.174 . . . . 0.0 108.528 178.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 4.1 tp -63.95 -42.94 97.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 C-N-CA 125.374 1.47 . . . . 0.0 112.186 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -68.38 -40.26 81.47 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 124.491 1.117 . . . . 0.0 111.048 -178.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 13.7 ttt -69.89 -46.27 65.82 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 106.776 -1.564 . . . . 0.0 106.776 178.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.57 -39.71 84.98 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.072 0.549 . . . . 0.0 110.672 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -55.71 -46.45 77.71 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.244 1.018 . . . . 0.0 108.753 178.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -57.82 -47.28 83.08 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 119.116 -0.468 . . . . 0.0 109.775 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 20.8 mt -57.46 -54.12 35.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 95.5 mt -60.93 -14.49 22.86 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.41 1.084 . . . . 0.0 112.63 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -95.16 -33.74 12.52 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 120.494 1.497 . . . . 0.0 110.178 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.585 ' HG3' HD11 ' A' ' 32' ' ' ILE . 68.8 mm-40 -89.72 -39.81 12.92 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 -179.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -92.9 -74.92 0.51 Allowed 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 124.334 1.054 . . . . 0.0 109.062 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 2.3 m -75.41 13.22 0.79 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.03 0.932 . . . . 0.0 112.684 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -123.7 164.79 16.72 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 109.576 -1.409 . . . . 0.0 109.576 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -77.33 -179.69 5.67 Favored 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 122.572 2.181 . . . . 0.0 111.679 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.7 t -125.01 104.22 8.44 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 125.577 1.551 . . . . 0.0 107.511 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.86 -22.29 8.59 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 126.027 1.731 . . . . 0.0 110.447 179.361 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 N-CA-C 105.253 -3.139 . . . . 0.0 105.253 179.75 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.106 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m -71.67 176.22 5.01 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 124.907 1.283 . . . . 0.0 114.127 -178.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 t -144.82 172.51 12.92 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.366 1.866 . . . . 0.0 109.413 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.33 110.61 3.34 Favored Glycine 0 C--N 1.337 0.59 0 C-N-CA 125.224 1.392 . . . . 0.0 109.638 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -146.19 103.53 3.73 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 104.561 -2.385 . . . . 0.0 104.561 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.3 m -54.93 146.32 17.94 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -178.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.68 -27.43 0.04 OUTLIER Glycine 0 CA--C 1.526 0.739 0 CA-C-O 117.954 -1.47 . . . . 0.0 115.033 179.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -150.53 83.13 1.36 Allowed 'General case' 0 C--N 1.343 0.322 0 CA-C-N 120.813 2.307 . . . . 0.0 113.71 -179.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 mp -57.03 -23.53 47.08 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.906 178.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.2 m -62.34 -43.27 99.22 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.362 0.665 . . . . 0.0 110.532 178.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.6 m -75.67 -26.54 57.73 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 118.664 -0.684 . . . . 0.0 110.056 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -65.0 -35.75 82.19 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.58 1.082 . . . . 0.0 108.359 178.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.1 mt -61.82 -41.22 89.86 Favored 'Isoleucine or valine' 0 C--N 1.34 0.172 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 178.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -64.01 -33.44 75.75 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -66.39 -34.76 78.68 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.74 1.154 . . . . 0.0 108.573 177.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.5 mt -69.41 -33.06 72.45 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 118.491 -0.766 . . . . 0.0 109.105 178.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 64.6 mtt -60.8 -35.37 76.3 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 177.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.0 m -66.4 4.95 0.64 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.661 1.584 . . . . 0.0 112.92 179.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -121.35 1.0 10.15 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 126.601 1.96 . . . . 0.0 110.037 178.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.28 -6.61 66.1 Favored Glycine 0 CA--C 1.526 0.737 0 C-N-CA 126.44 1.971 . . . . 0.0 116.078 178.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -70.98 127.41 32.49 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 119.857 1.828 . . . . 0.0 110.779 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.1 m -68.76 145.86 53.43 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.264 0.626 . . . . 0.0 109.347 179.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -55.42 -40.65 71.74 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.657 0.783 . . . . 0.0 113.053 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.4 mp0 -54.18 -47.02 72.5 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.463 1.105 . . . . 0.0 110.187 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -70.26 -47.31 61.83 Favored 'General case' 0 CA--C 1.519 -0.231 0 C-N-CA 126.375 1.87 . . . . 0.0 110.32 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.2 mt -53.92 -46.75 64.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -57.04 -49.85 74.55 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 117.733 -1.127 . . . . 0.0 110.359 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -51.57 -40.89 60.63 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 120.139 1.336 . . . . 0.0 110.861 179.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.03 -47.94 72.75 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-O 118.682 -0.675 . . . . 0.0 110.062 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.97 -44.99 91.61 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 119.145 0.884 . . . . 0.0 110.775 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.8 t -55.15 -55.94 13.8 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 C-N-CA 124.806 1.243 . . . . 0.0 109.769 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.4 mt -67.88 -27.36 37.49 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 123.46 0.704 . . . . 0.0 111.231 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.55 0.44 42.68 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 120.69 -1.256 . . . . 0.0 110.779 178.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 20.1 m170 59.75 51.37 6.24 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.734 1.614 . . . . 0.0 108.391 -178.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m120 57.15 27.4 13.43 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 127.546 2.338 . . . . 0.0 113.028 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -95.97 103.89 15.8 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 106.822 -1.547 . . . . 0.0 106.822 178.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.0 tp -65.41 -37.7 80.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 O-C-N 121.61 -0.681 . . . . 0.0 112.645 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.71 -35.76 77.13 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.795 0.838 . . . . 0.0 110.714 -179.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 15.9 ttt -80.36 -47.35 14.6 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 127.792 2.437 . . . . 0.0 109.032 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.02 -37.75 72.15 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 121.586 -0.696 . . . . 0.0 110.897 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -56.73 -47.55 79.76 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 123.612 0.765 . . . . 0.0 109.36 178.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -60.11 -45.26 93.56 Favored 'General case' 0 CA--C 1.529 0.152 0 O-C-N 123.752 0.658 . . . . 0.0 109.806 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 67.4 mt -53.46 -57.45 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 123.562 0.745 . . . . 0.0 109.526 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.5 mt -59.17 -55.17 38.35 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.071 0.948 . . . . 0.0 111.677 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -58.01 -36.94 73.39 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 114.017 1.118 . . . . 0.0 114.017 -178.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -77.22 -72.9 0.32 Allowed 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 119.227 0.921 . . . . 0.0 109.722 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -61.55 -54.39 43.75 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 115.743 1.756 . . . . 0.0 115.743 -177.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.3 t -80.79 -11.03 59.67 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 -178.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.95 176.99 35.11 Favored Glycine 0 CA--C 1.529 0.922 0 CA-C-N 119.601 1.091 . . . . 0.0 110.557 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -65.46 120.84 8.11 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 122.34 2.027 . . . . 0.0 109.241 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.9 t -81.12 60.49 4.29 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.821 1.648 . . . . 0.0 107.142 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.4 t -136.47 158.97 43.19 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 126.17 1.788 . . . . 0.0 107.578 -178.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.227 0 N-CA-C 106.165 -2.774 . . . . 0.0 106.165 -179.22 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.812 0 N-CA-C 108.677 -1.769 . . . . 0.0 108.677 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -119.04 72.88 0.91 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.428 1.114 . . . . 0.0 111.993 -178.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.9 p -77.51 160.04 28.92 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 177.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.66 23.22 0.23 Allowed Glycine 0 CA--C 1.521 0.466 0 CA-C-O 118.977 -0.902 . . . . 0.0 112.979 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.42 154.24 36.23 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 178.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 74.1 m -130.97 151.86 50.92 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.7 -35.27 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.462 0 CA-C-O 117.765 -1.575 . . . . 0.0 113.606 -179.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -132.33 96.81 3.95 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 119.71 1.755 . . . . 0.0 110.607 -179.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 9.7 mp -61.63 -28.86 69.67 Favored 'General case' 0 N--CA 1.46 0.071 0 C-N-CA 125.34 1.456 . . . . 0.0 109.701 179.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 6.2 m -55.12 -35.95 65.21 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.95 1.3 . . . . 0.0 110.304 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 8.3 m -83.25 -12.8 56.4 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.132 0.973 . . . . 0.0 111.734 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -89.25 -33.37 17.0 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 124.481 1.112 . . . . 0.0 108.803 178.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.424 HD13 HE22 ' B' ' 27' ' ' GLN . 35.0 mt -59.65 -39.59 79.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 179.074 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -65.06 -35.15 80.25 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.807 -0.558 . . . . 0.0 110.546 178.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -61.33 -39.53 90.89 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 119.012 0.824 . . . . 0.0 108.918 179.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 12.2 mt -67.95 -33.7 75.16 Favored 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 64.0 mtt -61.72 -36.91 82.32 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 119.259 0.936 . . . . 0.0 108.604 177.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 4.8 m -56.84 -34.54 67.88 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.683 0.674 . . . . 0.0 110.645 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -71.43 -9.81 58.76 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.016 0.825 . . . . 0.0 112.076 178.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.29 -3.34 47.25 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 125.538 1.542 . . . . 0.0 114.9 178.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -71.33 162.83 28.79 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 119.645 1.722 . . . . 0.0 113.043 -179.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 7.8 m -88.01 154.07 20.78 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.768 1.227 . . . . 0.0 109.659 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -61.93 -45.53 93.29 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.979 0.912 . . . . 0.0 112.043 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 -53.49 -51.68 61.99 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 124.081 0.953 . . . . 0.0 110.347 -179.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . 0.625 ' HA ' ' HE2' ' B' ' 28' ' ' LYS . 40.1 m-20 -55.66 -47.84 76.01 Favored 'General case' 0 CA--C 1.521 -0.158 0 C-N-CA 124.033 0.933 . . . . 0.0 109.789 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 57.7 mt -56.72 -50.34 74.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . 0.424 HE22 HD13 ' B' ' 13' ' ' ILE . 81.1 mm-40 -58.33 -43.39 88.23 Favored 'General case' 0 C--N 1.34 0.158 0 CA-C-O 118.289 -0.863 . . . . 0.0 112.162 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.625 ' HE2' ' HA ' ' B' ' 25' ' ' ASP . 24.4 mtmt -57.29 -49.73 75.16 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 179.028 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.95 -41.53 99.54 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 117.919 -1.039 . . . . 0.0 111.478 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -59.25 -52.89 63.73 Favored 'General case' 0 C--N 1.341 0.22 0 CA-C-N 119.994 1.27 . . . . 0.0 111.174 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 8.8 p -61.09 -48.64 88.13 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 O-C-N 123.427 0.454 . . . . 0.0 110.776 -179.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 71.1 mt -60.66 -35.18 62.07 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-O 118.985 -0.531 . . . . 0.0 110.223 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.99 5.99 7.06 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.145 0.978 . . . . 0.0 112.439 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 19.0 m170 63.6 44.31 5.26 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.091 1.756 . . . . 0.0 109.003 -178.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 56.58 50.42 12.87 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 128.257 2.623 . . . . 0.0 111.064 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -121.28 103.26 8.85 Favored 'General case' 0 CA--C 1.521 -0.14 0 C-N-CA 125.402 1.481 . . . . 0.0 109.12 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 10.2 tp -57.68 -40.8 77.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 C-N-CA 124.035 0.934 . . . . 0.0 113.446 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -59.29 -53.43 58.38 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 124.012 0.925 . . . . 0.0 110.226 -178.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 13.3 ttt -64.39 -45.82 85.99 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 126.176 1.791 . . . . 0.0 109.678 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.94 -43.78 94.76 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.265 0.626 . . . . 0.0 111.07 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -55.16 -36.83 66.26 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.436 179.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -68.89 -43.04 76.09 Favored 'General case' 0 N--CA 1.454 -0.269 0 O-C-N 123.633 0.583 . . . . 0.0 109.56 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 68.2 mt -56.92 -49.48 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 39.5 mt -65.13 -5.92 7.85 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.207 1.403 . . . . 0.0 112.86 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -109.21 -34.67 6.51 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 117.504 -1.236 . . . . 0.0 113.614 -178.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -98.23 -8.4 27.42 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.288 0.949 . . . . 0.0 112.273 -179.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -123.84 -58.34 1.58 Allowed 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 123.809 0.844 . . . . 0.0 109.558 178.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 3.4 t -74.1 -21.19 60.0 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.51 179.44 34.59 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 125.353 1.454 . . . . 0.0 109.994 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -68.78 166.41 26.33 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.331 2.021 . . . . 0.0 110.746 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.03 65.74 1.57 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-O 122.761 1.267 . . . . 0.0 109.426 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 35.2 t -149.85 106.38 3.51 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.927 0 CA-C-O 117.476 -1.735 . . . . 0.0 109.599 179.545 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.914 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.8 m -134.35 164.93 26.3 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.261 1.424 . . . . 0.0 107.79 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.4 p -144.8 -71.69 0.27 Allowed 'General case' 0 C--O 1.236 0.359 0 O-C-N 120.963 -1.085 . . . . 0.0 111.423 -179.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.27 -173.16 24.49 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 125.433 1.492 . . . . 0.0 110.385 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.5 m -63.21 154.29 31.85 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.617 0.767 . . . . 0.0 110.027 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 m -75.12 -7.26 53.27 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 116.939 2.2 . . . . 0.0 116.939 -178.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.5 -34.71 1.95 Allowed Glycine 0 CA--C 1.525 0.701 0 CA-C-N 120.424 1.465 . . . . 0.0 114.578 178.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -133.42 120.39 20.85 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 118.705 1.253 . . . . 0.0 108.037 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 mp -55.42 -22.27 19.44 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 124.96 1.304 . . . . 0.0 113.993 -179.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.5 m -55.93 -38.07 69.79 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.94 0.896 . . . . 0.0 110.058 178.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.6 p -69.05 -37.52 78.59 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 121.808 -0.558 . . . . 0.0 110.539 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -65.98 -28.95 69.28 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.432 0.693 . . . . 0.0 109.596 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 78.5 mt -67.87 -49.76 66.03 Favored 'Isoleucine or valine' 0 C--N 1.338 0.099 0 N-CA-C 106.056 -1.831 . . . . 0.0 106.056 177.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -62.9 -28.01 69.76 Favored 'General case' 0 C--O 1.236 0.355 0 O-C-N 121.999 -0.438 . . . . 0.0 111.347 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -67.87 -44.51 76.91 Favored 'General case' 0 C--N 1.34 0.176 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 178.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.8 mt -65.63 -32.77 74.52 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-O 118.129 -0.938 . . . . 0.0 110.254 178.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 63.3 mtt -58.69 -45.96 88.32 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 106.591 -1.633 . . . . 0.0 106.591 177.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.9 t -62.82 -25.69 68.38 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.344 0.658 . . . . 0.0 111.614 179.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -71.86 -8.7 55.88 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 120.031 1.287 . . . . 0.0 109.542 177.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.75 11.13 25.44 Favored Glycine 0 CA--C 1.53 0.991 0 CA-C-O 117.83 -1.539 . . . . 0.0 116.149 178.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -95.08 167.2 11.53 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.367 1.583 . . . . 0.0 112.325 -179.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.2 m -95.23 151.93 18.81 Favored 'General case' 0 C--O 1.232 0.163 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 178.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -57.0 -39.57 74.92 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.303 0.641 . . . . 0.0 112.422 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -57.28 -51.65 68.53 Favored 'General case' 0 N--CA 1.461 0.112 0 C-N-CA 125.263 1.425 . . . . 0.0 111.904 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -59.22 -41.69 89.24 Favored 'General case' 0 CA--C 1.517 -0.295 0 C-N-CA 123.837 0.855 . . . . 0.0 109.119 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.0 mt -64.06 -50.02 78.94 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -58.99 -42.12 89.27 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 119.991 1.268 . . . . 0.0 110.95 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -63.81 -41.14 97.95 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 120.676 -1.265 . . . . 0.0 109.628 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.91 -38.37 86.1 Favored 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 121.544 -0.722 . . . . 0.0 110.313 179.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -55.85 29.65 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.364 1.066 . . . . 0.0 111.603 -179.197 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -58.17 -45.08 88.8 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 123.279 0.631 . . . . 0.0 111.864 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.444 HD11 ' HG3' ' B' ' 46' ' ' GLU . 74.1 mt -69.5 -25.39 28.83 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 CA-C-N 118.513 0.597 . . . . 0.0 110.995 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.5 15.53 12.18 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 120.968 -1.083 . . . . 0.0 111.514 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.4 m170 53.61 39.21 29.83 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.827 1.194 . . . . 0.0 110.011 -178.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.8 m120 62.77 13.21 6.27 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.273 1.829 . . . . 0.0 112.34 -178.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -78.29 101.42 7.15 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 104.016 -2.587 . . . . 0.0 104.016 177.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.411 HG13 ' HE3' ' A' ' 41' ' ' LYS . 7.6 tp -54.26 -41.79 53.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 124.656 1.182 . . . . 0.0 114.082 -178.414 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -69.55 -37.61 77.12 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 123.75 0.82 . . . . 0.0 111.348 -178.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 13.3 ttt -65.47 -47.57 75.62 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 178.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.04 -43.29 95.43 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.411 ' HE3' HG13 ' A' ' 37' ' ' ILE . 86.1 mttt -57.12 -43.62 82.52 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.588 0.755 . . . . 0.0 109.808 178.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -58.25 -43.88 88.04 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 118.864 -0.589 . . . . 0.0 110.174 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 17.6 mt -63.14 -49.84 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 88.9 mt -70.73 18.61 0.06 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.316 1.446 . . . . 0.0 113.906 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 39.6 ttp180 -140.59 -0.5 1.55 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.354 1.862 . . . . 0.0 110.504 178.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -131.08 -14.49 3.43 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.88 1.672 . . . . 0.0 111.76 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -123.26 -67.53 0.94 Allowed 'General case' 0 C--O 1.233 0.188 0 C-N-CA 126.008 1.723 . . . . 0.0 106.988 178.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.7 t -76.89 150.26 36.02 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 106.11 -1.811 . . . . 0.0 106.11 178.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -143.95 175.35 23.87 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -68.98 163.8 36.22 Favored 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 122.617 2.211 . . . . 0.0 112.322 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 m -153.56 148.47 26.58 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 125.95 1.7 . . . . 0.0 110.003 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.0 p -144.16 170.29 16.24 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 126.978 2.111 . . . . 0.0 107.648 179.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 117.489 -1.728 . . . . 0.0 109.05 -179.883 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.58 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 17.2 m -62.23 157.36 19.65 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 118.436 1.118 . . . . 0.0 109.433 178.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 31.6 p -149.89 0.47 0.47 Allowed 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 -179.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.45 -164.49 23.9 Favored Glycine 0 C--N 1.337 0.63 0 CA-C-N 119.335 0.97 . . . . 0.0 112.003 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 16.5 m -55.05 134.4 49.11 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 126.778 2.031 . . . . 0.0 114.03 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 72.4 m -67.76 -24.64 65.37 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 178.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.44 -59.55 0.4 Allowed Glycine 0 C--N 1.335 0.497 0 N-CA-C 108.362 -1.895 . . . . 0.0 108.362 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -133.57 142.1 48.0 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 124.511 1.125 . . . . 0.0 108.499 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 mp -55.71 -27.97 53.17 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 125.988 1.715 . . . . 0.0 112.706 -178.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.75 -43.73 69.4 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.989 0.813 . . . . 0.0 110.79 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 78.2 p -65.58 -36.55 84.07 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 117.971 0.35 . . . . 0.0 111.242 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -66.73 -32.28 73.47 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.635 -0.665 . . . . 0.0 111.639 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.31 -46.23 97.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -60.69 -33.77 73.36 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 123.163 0.585 . . . . 0.0 111.519 -179.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -68.24 -40.16 82.1 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 178.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 35.1 mt -65.42 -32.79 74.6 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 121.569 -0.707 . . . . 0.0 109.782 178.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 55.0 mtt -60.58 -32.05 71.16 Favored 'General case' 0 C--N 1.343 0.305 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 3.6 t -60.38 -49.09 78.95 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 125.649 1.579 . . . . 0.0 109.892 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -58.73 -33.24 70.0 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.038 0.535 . . . . 0.0 109.562 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 126.89 -2.77 7.42 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 125.221 1.391 . . . . 0.0 114.115 178.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -63.96 135.81 56.81 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 119.191 1.495 . . . . 0.0 110.386 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 17.7 m -74.4 147.24 42.28 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -56.86 -34.56 67.95 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.511 0.724 . . . . 0.0 110.107 179.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -57.09 -55.07 39.54 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.194 0.998 . . . . 0.0 109.396 178.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.49 -50.13 72.68 Favored 'General case' 0 CA--C 1.521 -0.154 0 C-N-CA 124.996 1.319 . . . . 0.0 109.817 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 31.0 mt -57.84 -49.31 81.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 119.515 -0.279 . . . . 0.0 110.55 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -63.92 -43.39 96.04 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 118.894 0.77 . . . . 0.0 112.485 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -63.67 -41.66 98.16 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.17 -46.15 88.49 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 25.4 mt -61.99 -45.14 94.92 Favored 'General case' 0 CA--C 1.522 -0.127 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 -178.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.05 -44.79 97.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 119.225 0.92 . . . . 0.0 110.489 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 69.0 mt -69.23 -35.95 70.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 C-N-CA 123.584 0.753 . . . . 0.0 109.077 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.05 12.56 0.68 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.094 0.958 . . . . 0.0 112.551 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 51.0 m170 53.43 50.05 18.26 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.639 1.576 . . . . 0.0 109.532 -179.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.9 t30 54.92 46.5 24.25 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 127.015 2.126 . . . . 0.0 112.971 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -119.69 107.96 13.87 Favored 'General case' 0 CA--C 1.522 -0.111 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 4.0 tp -63.74 -37.68 80.33 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.243 0 C-N-CA 124.078 0.951 . . . . 0.0 112.235 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -66.84 -49.74 64.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 119.307 0.958 . . . . 0.0 109.449 -178.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 14.6 ttt -59.24 -45.09 92.11 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 107.578 -1.268 . . . . 0.0 107.578 178.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.45 -43.69 98.42 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 178.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -58.16 -35.26 71.3 Favored 'General case' 0 C--N 1.34 0.194 0 CA-C-O 118.112 -0.947 . . . . 0.0 110.24 179.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -63.55 -41.71 98.43 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 118.762 0.71 . . . . 0.0 109.288 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 53.0 mt -62.22 -44.6 99.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 178.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 66.3 mt -76.56 25.46 0.14 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 127.054 2.141 . . . . 0.0 111.683 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 20.1 ttt85 -144.36 0.31 1.02 Allowed 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 125.895 1.678 . . . . 0.0 111.024 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.444 ' HG3' HD11 ' A' ' 32' ' ' ILE . 26.1 mm-40 -132.57 -59.96 0.9 Allowed 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 125.455 1.502 . . . . 0.0 107.093 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -79.19 -73.49 0.33 Allowed 'General case' 0 C--O 1.236 0.393 0 C-N-CA 123.772 0.829 . . . . 0.0 108.77 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.44 155.59 36.14 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 178.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -148.06 179.42 24.95 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 109.833 -1.307 . . . . 0.0 109.833 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -75.05 162.24 37.31 Favored 'Trans proline' 0 N--CA 1.446 -1.299 0 C-N-CA 122.313 2.008 . . . . 0.0 111.561 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 2.8 t -152.38 162.22 41.49 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 124.257 1.023 . . . . 0.0 109.144 178.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 4.9 p -155.35 179.13 9.46 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 127.436 2.294 . . . . 0.0 107.901 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 N-CA-C 107.672 -2.171 . . . . 0.0 107.672 -179.959 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.007 0 N-CA-C 110.412 -1.075 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 p -34.24 -63.96 0.26 Allowed 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 127.108 2.163 . . . . 0.0 113.517 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.4 p -99.75 -23.18 15.08 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.254 1.021 . . . . 0.0 112.588 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.63 111.2 1.07 Allowed Glycine 0 C--N 1.334 0.452 0 N-CA-C 107.392 -2.283 . . . . 0.0 107.392 -178.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -148.3 63.51 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -65.27 169.33 5.82 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.168 0.987 . . . . 0.0 109.778 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.64 -18.43 9.27 Favored Glycine 0 CA--C 1.521 0.435 0 C-N-CA 124.329 0.966 . . . . 0.0 113.418 179.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -81.63 139.55 34.93 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 118.851 1.326 . . . . 0.0 107.814 179.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.27 -17.1 21.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 119.421 -0.323 . . . . 0.0 111.247 179.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 m -57.8 -46.3 84.84 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.291 1.436 . . . . 0.0 110.461 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.1 p -58.71 -32.87 69.58 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.389 1.076 . . . . 0.0 112.325 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -71.71 -28.36 63.64 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 123.298 0.639 . . . . 0.0 110.837 -178.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.6 mt -64.9 -47.72 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 178.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -62.03 -35.57 79.0 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.707 0.803 . . . . 0.0 110.73 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.8 mtp85 -65.67 -34.7 78.82 Favored 'General case' 0 C--N 1.345 0.375 0 C-N-CA 119.045 -1.062 . . . . 0.0 108.641 178.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.1 mt -74.27 -35.64 63.77 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 118.793 0.724 . . . . 0.0 109.362 178.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 36.1 mtt -57.33 -41.9 80.85 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 119.162 0.892 . . . . 0.0 109.006 178.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.0 t -55.1 -35.18 64.34 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.89 1.676 . . . . 0.0 111.224 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -69.99 -22.66 63.12 Favored 'General case' 0 CA--C 1.529 0.148 0 O-C-N 121.35 -0.844 . . . . 0.0 112.601 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.21 12.7 14.84 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.959 1.266 . . . . 0.0 110.632 -178.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -79.4 140.17 37.49 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 118.821 1.31 . . . . 0.0 108.918 179.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.4 m -73.93 143.36 45.75 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 122.857 0.463 . . . . 0.0 110.002 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -54.11 -47.54 71.69 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 123.834 0.854 . . . . 0.0 111.627 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -55.22 -47.64 75.03 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.392 1.077 . . . . 0.0 112.298 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -59.38 -50.18 74.94 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 124.082 0.953 . . . . 0.0 108.665 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 27.9 mt -56.65 -46.47 82.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 43.5 mm-40 -58.12 -50.38 73.67 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.309 0.644 . . . . 0.0 110.84 179.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -57.7 -44.57 85.98 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 118.419 0.554 . . . . 0.0 110.336 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.0 -40.37 97.57 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 118.088 0.403 . . . . 0.0 110.806 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 30.7 mt -64.85 -50.98 64.49 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 -178.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.5 p -59.73 -50.38 80.23 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 O-C-N 123.644 0.59 . . . . 0.0 109.768 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.5 mt -62.91 -35.45 71.31 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 C-N-CA 123.965 0.906 . . . . 0.0 110.264 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.35 4.18 7.68 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.295 0.952 . . . . 0.0 112.631 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 13.7 m170 65.27 44.85 3.1 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.018 1.327 . . . . 0.0 109.517 -179.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.0 m120 62.24 23.82 14.13 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 126.088 1.755 . . . . 0.0 113.284 179.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -98.29 107.74 20.27 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 125.417 1.487 . . . . 0.0 107.422 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 8.6 tp -60.41 -44.42 96.09 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 -178.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -59.84 -54.37 46.97 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 124.044 0.937 . . . . 0.0 109.189 -178.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.4 ttt -56.64 -42.67 79.26 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.444 1.097 . . . . 0.0 109.231 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.7 -39.66 88.16 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.31 0.644 . . . . 0.0 110.899 178.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -59.85 -39.39 85.02 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 121.205 -0.934 . . . . 0.0 109.945 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -60.28 -49.17 78.68 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 179.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 63.1 mt -53.86 -50.37 52.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.8 mt -62.95 -23.71 67.54 Favored 'General case' 0 C--O 1.226 -0.147 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 -179.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -95.43 -42.17 8.61 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 120.255 1.389 . . . . 0.0 112.046 -179.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -73.92 -38.89 64.17 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 118.464 -0.779 . . . . 0.0 112.202 -178.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -99.33 -67.48 0.85 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 119.802 1.183 . . . . 0.0 111.428 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.4 t -73.34 -171.79 1.03 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.776 1.231 . . . . 0.0 108.894 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -170.29 159.39 31.79 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 107.673 -2.171 . . . . 0.0 107.673 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -72.78 134.19 21.47 Favored 'Trans proline' 0 N--CA 1.449 -1.107 0 N-CA-C 107.828 -1.643 . . . . 0.0 107.828 178.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.3 p -77.11 -0.05 23.39 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.262 0.625 . . . . 0.0 112.596 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 92.4 p -156.19 -159.69 0.92 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.071 1.748 . . . . 0.0 108.296 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.803 0 N-CA-C 107.957 -2.057 . . . . 0.0 107.957 178.957 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.7 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 4.8 p -53.75 -52.12 61.18 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.194 0.997 . . . . 0.0 110.106 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 10.0 p -101.3 -78.18 0.53 Allowed 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 178.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.49 129.93 2.48 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 108.678 -1.769 . . . . 0.0 108.678 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 15.3 m -156.35 120.96 4.56 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 117.787 0.793 . . . . 0.0 109.496 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 69.2 m -135.97 161.17 36.4 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 125.592 1.557 . . . . 0.0 107.778 178.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.04 17.23 16.75 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 -178.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -116.36 138.69 51.13 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 105.002 -2.221 . . . . 0.0 105.002 178.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 8.7 mp -105.55 -24.15 12.65 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 123.622 0.769 . . . . 0.0 112.329 -178.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 15.9 m -59.36 -43.48 92.81 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 124.18 0.992 . . . . 0.0 111.669 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 4.8 p -63.19 -23.07 67.26 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.223 1.009 . . . . 0.0 111.47 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -81.24 -25.83 36.33 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 124.732 1.213 . . . . 0.0 110.513 -178.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 61.6 mt -62.97 -45.45 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 178.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -60.78 -27.67 68.17 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.839 1.256 . . . . 0.0 111.018 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 52.2 mtp85 -77.32 -41.54 40.18 Favored 'General case' 0 C--N 1.34 0.183 0 O-C-N 121.287 -0.883 . . . . 0.0 108.823 178.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 7.1 mt -62.9 -37.15 85.81 Favored 'General case' 0 C--O 1.227 -0.095 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 178.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 40.3 mtt -57.98 -31.43 66.9 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 121.734 -0.604 . . . . 0.0 111.168 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 3.8 t -60.04 -20.5 58.29 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.382 1.073 . . . . 0.0 111.341 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -90.35 -9.21 48.57 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 119.574 1.079 . . . . 0.0 111.531 178.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.67 35.75 6.75 Favored Glycine 0 CA--C 1.529 0.95 0 CA-C-N 120.058 1.299 . . . . 0.0 111.803 -179.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -101.33 137.53 39.55 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 118.501 1.15 . . . . 0.0 110.068 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 67.3 m -67.61 148.68 51.08 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.371 0.605 . . . . 0.0 110.904 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -60.6 -38.99 86.49 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 123.846 0.858 . . . . 0.0 110.478 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -57.56 -57.98 10.29 Favored 'General case' 0 N--CA 1.452 -0.37 0 O-C-N 124.059 0.849 . . . . 0.0 109.489 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -51.97 -50.0 62.14 Favored 'General case' 0 C--N 1.334 -0.07 0 C-N-CA 124.775 1.23 . . . . 0.0 109.777 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 52.3 mt -56.24 -50.58 70.45 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 CA-C-O 118.652 -0.69 . . . . 0.0 110.163 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -60.21 -49.81 76.13 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.951 0.796 . . . . 0.0 110.665 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -54.56 -45.14 73.45 Favored 'General case' 0 N--CA 1.46 0.067 0 C-N-CA 124.522 1.129 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.6 -38.29 89.06 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 118.529 0.604 . . . . 0.0 110.433 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 18.5 mt -63.54 -54.27 38.79 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-O 118.572 -0.728 . . . . 0.0 111.733 -179.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 12.7 p -57.17 -42.72 80.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 118.548 0.613 . . . . 0.0 111.632 -178.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 84.5 mt -71.18 -27.81 30.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 O-C-N 121.914 -0.491 . . . . 0.0 110.385 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.8 11.6 15.07 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.017 -1.052 . . . . 0.0 111.121 178.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 14.7 m170 56.7 40.68 29.07 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-O 122.377 1.084 . . . . 0.0 108.278 -177.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . 0.284 10.5 m-20 66.63 8.51 5.93 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 129.63 3.172 . . . . 0.0 113.523 -179.083 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -70.05 109.46 4.57 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 178.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 8.3 tp -63.38 -42.89 97.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 124.089 0.956 . . . . 0.0 112.056 -178.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -59.47 -50.09 75.28 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.207 1.003 . . . . 0.0 110.52 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 19.8 ttt -62.05 -49.22 76.85 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 125.576 1.55 . . . . 0.0 108.873 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.66 -43.08 80.02 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.677 0.791 . . . . 0.0 110.989 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 26.8 mttm -58.62 -39.42 80.41 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 118.711 -0.661 . . . . 0.0 111.019 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 46.3 m-20 -64.51 -40.5 95.76 Favored 'General case' 0 CA--C 1.528 0.112 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 68.6 mt -57.94 -48.32 84.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 178.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 40.9 mt -66.74 -7.42 20.93 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -109.83 -33.93 6.59 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 120.37 1.441 . . . . 0.0 111.328 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.58 -21.73 22.71 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 117.981 -1.009 . . . . 0.0 112.585 -178.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -114.56 -76.28 0.58 Allowed 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 119.545 1.066 . . . . 0.0 108.126 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 14.8 m -70.3 170.38 11.89 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 179.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -144.25 165.27 27.46 Favored Glycine 0 CA--C 1.529 0.916 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -76.22 123.7 7.37 Favored 'Trans proline' 0 N--CA 1.452 -0.954 0 C-N-CA 123.632 2.888 . . . . 0.0 108.387 178.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 11.6 p -77.8 -7.0 56.0 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.408 -0.807 . . . . 0.0 112.917 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 47.8 p -141.98 161.93 36.74 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 119.78 1.173 . . . . 0.0 112.205 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.927 0 CA-C-O 117.886 -1.508 . . . . 0.0 111.091 179.399 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.644 0 N-CA-C 108.636 -1.786 . . . . 0.0 108.636 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.3 p -138.0 174.47 10.53 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.244 1.017 . . . . 0.0 110.366 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -146.95 173.34 12.51 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 127.074 2.149 . . . . 0.0 107.824 178.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.64 -17.4 5.17 Favored Glycine 0 CA--C 1.53 1.027 0 C-N-CA 124.716 1.15 . . . . 0.0 110.313 178.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -171.82 145.5 1.93 Allowed 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 127.405 2.282 . . . . 0.0 106.166 179.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.9 m -150.76 176.18 11.29 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 126.027 1.731 . . . . 0.0 108.277 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.16 -89.16 0.54 Allowed Glycine 0 C--N 1.336 0.577 0 O-C-N 121.268 -0.895 . . . . 0.0 115.199 178.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -78.41 85.5 4.52 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 105.124 -2.176 . . . . 0.0 105.124 179.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.66 -30.16 30.27 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 126.488 1.915 . . . . 0.0 113.902 -178.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.5 m -54.91 -40.43 69.84 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 124.521 1.129 . . . . 0.0 111.088 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.8 m -67.91 -24.26 65.19 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.378 0.671 . . . . 0.0 112.289 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -80.79 -28.7 36.25 Favored 'General case' 0 N--CA 1.457 -0.104 0 O-C-N 121.674 -0.641 . . . . 0.0 110.747 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.7 mt -57.06 -47.5 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -61.99 -22.57 65.79 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 122.938 0.495 . . . . 0.0 112.006 -179.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 53.4 mtp180 -79.6 -32.6 41.91 Favored 'General case' 0 C--O 1.232 0.156 0 O-C-N 120.823 -1.173 . . . . 0.0 109.326 178.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.77 -39.0 87.7 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 177.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 58.9 mtt -54.06 -32.62 55.18 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 123.332 0.653 . . . . 0.0 112.61 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.8 m -60.99 -23.38 65.34 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.419 0.687 . . . . 0.0 111.013 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -94.99 5.12 52.84 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 126.003 1.721 . . . . 0.0 111.863 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.98 -9.01 73.23 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 124.729 1.157 . . . . 0.0 115.344 178.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -63.72 129.44 40.15 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 119.087 1.443 . . . . 0.0 109.375 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.6 m -78.39 165.45 23.79 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 108.677 -0.861 . . . . 0.0 108.677 178.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -57.92 -42.52 84.95 Favored 'General case' 0 N--CA 1.462 0.143 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -52.14 -47.87 65.18 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.869 0.868 . . . . 0.0 111.955 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -63.68 -52.54 60.19 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 125.316 1.446 . . . . 0.0 110.475 -179.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.419 ' HA ' HD11 ' A' ' 44' ' ' LEU . 35.9 mt -55.38 -49.47 72.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 124.179 0.991 . . . . 0.0 110.257 -178.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.401 ' O ' HG23 ' A' ' 31' ' ' VAL . 15.2 mm100 -61.25 -50.14 74.27 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 118.455 -0.783 . . . . 0.0 109.592 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -53.34 -43.08 67.39 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 120.197 1.362 . . . . 0.0 111.711 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.8 -46.19 83.07 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 123.02 0.528 . . . . 0.0 109.734 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 29.0 mt -59.81 -47.95 83.65 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 123.738 0.815 . . . . 0.0 110.546 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 27' ' ' GLN . 52.3 t -52.94 -56.69 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 125.259 1.424 . . . . 0.0 109.428 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.427 HD13 ' HA ' ' B' ' 43' ' ' ILE . 39.8 mt -64.87 -32.41 58.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 122.962 0.505 . . . . 0.0 111.589 -178.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.39 8.27 6.49 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 119.093 0.86 . . . . 0.0 111.559 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.2 m170 58.56 40.28 23.88 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.46 1.504 . . . . 0.0 108.484 -178.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.8 m120 69.92 10.58 7.51 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 129.077 2.951 . . . . 0.0 113.711 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -76.45 108.6 9.53 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 178.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 9.7 tp -61.46 -42.21 93.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 -178.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -61.79 -44.75 96.25 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 124.741 1.216 . . . . 0.0 109.633 -178.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 13.4 ttt -67.35 -46.67 72.71 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 125.146 1.378 . . . . 0.0 108.841 179.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.92 97.61 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.32 0.648 . . . . 0.0 110.519 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.9 mttm -59.12 -39.99 84.03 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -63.88 -41.6 97.7 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 118.959 0.799 . . . . 0.0 110.564 178.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 71.6 mt -57.69 -50.74 76.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-N 119.667 1.121 . . . . 0.0 108.187 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.419 HD11 ' HA ' ' A' ' 26' ' ' ILE . 65.2 mt -63.22 -30.54 71.66 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.471 0.708 . . . . 0.0 111.872 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -72.71 -39.5 66.93 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 118.897 0.772 . . . . 0.0 112.379 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -94.58 -31.25 13.96 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 116.593 2.072 . . . . 0.0 116.593 -177.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -97.25 -56.7 2.46 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 120.002 1.274 . . . . 0.0 109.813 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.5 t -81.96 -178.25 6.92 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 131.88 162.99 10.64 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 126.312 1.911 . . . . 0.0 109.059 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -64.68 100.85 0.35 Allowed 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 123.915 3.077 . . . . 0.0 110.112 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.1 t -144.62 37.72 1.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 126.106 1.763 . . . . 0.0 107.849 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.57 20.54 1.85 Allowed 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.285 -0.884 . . . . 0.0 111.93 -179.063 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.275 0 C-N-CA 126.641 2.067 . . . . 0.0 108.308 -179.507 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.685 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 58.0 p -155.22 172.95 17.33 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 126.863 2.065 . . . . 0.0 107.691 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.4 p -151.82 154.03 35.39 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 124.366 1.066 . . . . 0.0 108.736 178.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.06 -46.16 52.79 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 27.9 t -153.0 166.78 31.34 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 126.101 1.76 . . . . 0.0 107.185 179.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 46.0 m -141.84 149.47 40.34 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 126.469 1.908 . . . . 0.0 106.137 178.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.72 -153.24 23.75 Favored Glycine 0 C--N 1.33 0.202 0 CA-C-N 118.794 0.725 . . . . 0.0 111.587 -179.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.4 117.62 1.47 Allowed 'General case' 0 C--O 1.237 0.438 0 C-N-CA 126.919 2.087 . . . . 0.0 110.493 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 9.0 mp -56.01 -37.2 68.84 Favored 'General case' 0 N--CA 1.461 0.107 0 C-N-CA 123.402 0.681 . . . . 0.0 109.693 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 5.9 m -55.88 -17.62 6.87 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 125.078 1.351 . . . . 0.0 114.349 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 69.0 m -96.93 -24.73 15.7 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.767 1.167 . . . . 0.0 110.303 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -86.21 -31.5 21.7 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.249 1.019 . . . . 0.0 110.743 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.437 HG23 HG21 ' B' ' 26' ' ' ILE . 72.4 mt -58.95 -37.82 69.68 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 N-CA-C 107.086 -1.45 . . . . 0.0 107.086 178.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -64.57 -39.9 94.58 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 121.168 -0.958 . . . . 0.0 109.975 178.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 50.7 mtp180 -64.85 -25.92 68.11 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 121.324 -0.86 . . . . 0.0 109.408 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 20.9 mt -81.54 -43.82 18.21 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.346 1.058 . . . . 0.0 108.862 178.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 28.1 mtt -54.22 -42.5 69.89 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 119.748 1.158 . . . . 0.0 110.595 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 58.2 m -64.89 -2.68 2.75 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 179.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -104.65 0.56 28.61 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 125.734 1.614 . . . . 0.0 111.085 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.54 -5.66 54.81 Favored Glycine 0 C--N 1.335 0.475 0 CA-C-O 119.046 -0.864 . . . . 0.0 113.257 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -75.52 163.28 27.54 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 178.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 42.8 m -125.13 156.73 37.88 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 123.649 0.779 . . . . 0.0 110.091 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -51.9 -35.09 44.18 Favored 'General case' 0 CA--C 1.529 0.16 0 O-C-N 121.656 -0.653 . . . . 0.0 112.22 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -59.66 -57.58 12.33 Favored 'General case' 0 C--O 1.236 0.381 0 O-C-N 121.794 -0.566 . . . . 0.0 111.352 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -67.47 -41.38 84.72 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.769 0.828 . . . . 0.0 110.454 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.437 HG21 HG23 ' B' ' 13' ' ' ILE . 80.6 mt -54.58 -53.88 27.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 C-N-CA 123.894 0.878 . . . . 0.0 108.705 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -62.59 -48.91 77.37 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.841 179.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -53.33 -36.79 61.68 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 120.673 1.579 . . . . 0.0 111.709 -179.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.73 -49.22 55.31 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 14.2 mt -54.94 -49.39 71.46 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 124.067 0.947 . . . . 0.0 111.221 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 86.3 t -58.5 -48.22 86.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 124.555 1.142 . . . . 0.0 110.231 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 65.3 mt -69.47 -26.11 30.49 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 O-C-N 121.276 -0.89 . . . . 0.0 110.442 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.84 9.18 19.95 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.591 1.557 . . . . 0.0 111.557 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 32.5 m170 55.67 48.97 17.35 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.331 1.052 . . . . 0.0 109.355 -178.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 7.1 m120 62.19 10.53 3.83 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 128.103 2.561 . . . . 0.0 114.008 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -78.54 102.61 8.0 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 107.324 -1.362 . . . . 0.0 107.324 178.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 7.2 tp -59.98 -39.03 79.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -179.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -65.79 -40.73 92.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.859 0.838 . . . . 0.0 111.045 -178.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 22.1 ttt -68.94 -47.02 66.74 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 179.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.88 -40.31 84.01 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.941 0.896 . . . . 0.0 110.943 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 27.8 mttm -60.95 -38.56 86.29 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 123.614 0.766 . . . . 0.0 109.677 178.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -66.23 -39.49 89.61 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 118.407 -0.806 . . . . 0.0 108.835 178.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.427 ' HA ' HD13 ' A' ' 32' ' ' ILE . 72.3 mt -55.33 -54.1 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 179.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 96.3 mt -60.53 -45.12 95.03 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 123.81 0.844 . . . . 0.0 111.718 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 14.7 ttm-85 -66.72 -29.43 69.42 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 120.546 1.521 . . . . 0.0 113.434 -179.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.407 ' HB2' HD11 ' A' ' 32' ' ' ILE . 20.1 mm-40 -90.3 -37.01 14.36 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 119.65 1.114 . . . . 0.0 113.81 -179.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -97.77 -67.71 0.83 Allowed 'General case' 0 C--O 1.233 0.227 0 CA-C-N 119.183 0.902 . . . . 0.0 109.682 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 20.6 t -63.86 -178.79 0.34 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.522 1.529 . . . . 0.0 110.613 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 139.48 172.67 12.78 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 125.188 1.375 . . . . 0.0 111.59 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -74.83 91.22 1.02 Allowed 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 123.3 2.667 . . . . 0.0 108.36 179.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 75.1 m -126.21 27.19 6.31 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.929 1.692 . . . . 0.0 110.038 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 7.4 t -156.78 78.06 0.91 Allowed 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 106.665 -1.606 . . . . 0.0 106.665 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.92 0 C-N-CA 125.255 1.407 . . . . 0.0 110.01 -179.366 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.804 0 N-CA-C 108.893 -1.683 . . . . 0.0 108.893 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 m -80.13 113.34 18.24 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 178.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.01 95.98 0.41 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.11 -53.31 3.96 Favored Glycine 0 C--N 1.335 0.528 0 C-N-CA 123.773 0.701 . . . . 0.0 111.641 -179.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.3 p -129.93 159.75 35.7 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.628 0.728 . . . . 0.0 111.226 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.0 m -112.7 23.97 12.93 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 126.901 2.08 . . . . 0.0 110.219 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.67 -8.88 10.57 Favored Glycine 0 CA--C 1.528 0.846 0 C-N-CA 125.059 1.314 . . . . 0.0 112.854 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -65.09 156.42 31.6 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-N 119.154 1.477 . . . . 0.0 109.623 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 mp -132.27 -8.55 3.36 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.53 1.532 . . . . 0.0 110.279 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.4 p -58.23 -47.95 81.91 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 120.447 1.476 . . . . 0.0 109.61 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.59 -24.85 61.81 Favored 'General case' 0 N--CA 1.439 -0.979 0 C-N-CA 129.362 3.065 . . . . 0.0 111.548 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.33 -29.76 26.05 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.612 1.165 . . . . 0.0 110.621 -179.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 53.8 mt -64.72 -52.83 49.46 Favored 'Isoleucine or valine' 0 C--N 1.341 0.236 0 N-CA-C 105.92 -1.881 . . . . 0.0 105.92 178.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -58.8 -35.15 72.37 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.669 0.787 . . . . 0.0 109.66 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -67.43 -39.36 85.43 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 119.137 0.88 . . . . 0.0 110.095 178.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.4 mt -67.61 -33.17 74.45 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 118.491 -0.766 . . . . 0.0 110.653 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.0 mtt -59.61 -33.45 71.5 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 119.042 0.837 . . . . 0.0 111.037 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.9 m -60.91 -24.86 66.32 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.221 0.608 . . . . 0.0 111.832 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -78.57 -20.19 51.11 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.45 -0.781 . . . . 0.0 111.427 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.02 -0.37 27.04 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 125.094 1.33 . . . . 0.0 111.344 -178.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -70.01 127.13 31.77 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 118.675 1.237 . . . . 0.0 108.245 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.3 m -66.99 148.07 52.43 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 122.675 0.39 . . . . 0.0 110.594 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -54.16 -42.7 69.89 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.496 0.718 . . . . 0.0 111.61 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -60.03 -45.26 93.39 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-O 119.14 -0.457 . . . . 0.0 110.814 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -59.2 -50.96 72.01 Favored 'General case' 0 CA--C 1.522 -0.107 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 41.1 mt -57.06 -47.91 82.8 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -58.4 -56.26 24.45 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 118.643 -0.694 . . . . 0.0 109.951 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.5 mtpp -53.3 -45.56 69.01 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 125.043 1.337 . . . . 0.0 110.785 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.18 -44.35 95.13 Favored 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 123.675 0.79 . . . . 0.0 110.27 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 54.1 mt -64.83 -36.02 82.99 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 118.631 -0.699 . . . . 0.0 112.595 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.8 t -63.57 -58.01 9.29 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 179.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 59.1 mt -59.28 -38.41 74.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 125.568 1.547 . . . . 0.0 111.28 -178.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.12 0.7 15.33 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 118.831 0.742 . . . . 0.0 112.193 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 51.8 m170 56.24 57.56 4.9 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 125.342 1.457 . . . . 0.0 109.495 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.2 m120 59.23 18.73 6.83 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 126.631 1.972 . . . . 0.0 113.769 179.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -96.07 101.13 12.75 Favored 'General case' 0 C--O 1.231 0.104 0 O-C-N 121.066 -1.021 . . . . 0.0 108.89 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.8 tp -60.5 -39.18 80.41 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.331 0 C-N-CA 123.337 0.655 . . . . 0.0 111.357 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -64.05 -37.92 89.2 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 119.227 0.922 . . . . 0.0 110.501 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 8.9 ttt -72.85 -49.6 29.18 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 178.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.85 -36.91 75.37 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.831 0.853 . . . . 0.0 111.148 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 43.5 mttt -57.17 -48.36 78.93 Favored 'General case' 0 CA--C 1.517 -0.3 0 C-N-CA 124.741 1.216 . . . . 0.0 108.058 178.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -59.17 -42.65 91.28 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-O 118.922 -0.561 . . . . 0.0 109.713 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 58.1 mt -57.51 -54.51 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 118.88 0.764 . . . . 0.0 109.154 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.4 mt -58.44 -44.8 89.31 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 122.767 0.427 . . . . 0.0 110.679 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -63.76 -19.03 64.65 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 126.15 1.78 . . . . 0.0 112.556 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -112.26 -27.38 8.35 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 114.946 1.462 . . . . 0.0 114.946 -178.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -109.96 -61.61 1.63 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.077 1.351 . . . . 0.0 113.285 -179.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.5 m -70.15 12.63 0.21 Allowed 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 -178.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -142.62 -158.62 7.61 Favored Glycine 0 CA--C 1.532 1.155 0 C-N-CA 125.651 1.596 . . . . 0.0 110.628 -179.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -71.44 -178.92 3.24 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 123.514 2.809 . . . . 0.0 111.875 -179.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.3 t -117.18 9.44 13.52 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.077 1.351 . . . . 0.0 110.62 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.0 p -138.87 101.86 4.41 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 124.773 1.229 . . . . 0.0 109.157 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.207 0 N-CA-C 107.55 -2.22 . . . . 0.0 107.55 -179.502 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.653 0 N-CA-C 107.625 -2.19 . . . . 0.0 107.625 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 16.6 m -126.06 93.7 3.89 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 105.45 -2.056 . . . . 0.0 105.45 179.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 15.6 m -69.97 173.14 6.78 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.798 0.839 . . . . 0.0 110.947 -179.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.44 -66.32 0.07 OUTLIER Glycine 0 CA--C 1.519 0.299 0 N-CA-C 107.552 -2.219 . . . . 0.0 107.552 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 1.6 p -70.28 86.6 0.59 Allowed 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.435 1.494 . . . . 0.0 109.783 179.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 15.4 m -81.42 56.5 2.95 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 122.189 0.995 . . . . 0.0 110.459 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.23 79.15 0.08 OUTLIER Glycine 0 N--CA 1.443 -0.843 0 N-CA-C 105.223 -3.151 . . . . 0.0 105.223 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -140.18 158.11 44.56 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 125.229 1.412 . . . . 0.0 108.502 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 mp -119.63 -18.75 8.31 Favored 'General case' 0 C--O 1.226 -0.139 0 C-N-CA 124.883 1.273 . . . . 0.0 111.729 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 1.2 p -51.57 -60.39 3.21 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 126.164 1.786 . . . . 0.0 111.096 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.16 -35.2 78.07 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 125.057 1.343 . . . . 0.0 111.022 179.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -34.01 77.35 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 117.725 -1.131 . . . . 0.0 111.17 -178.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 39.4 mt -63.28 -46.29 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 N-CA-C 107.028 -1.471 . . . . 0.0 107.028 178.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -59.68 -35.73 75.05 Favored 'General case' 0 C--O 1.24 0.574 0 C-N-CA 123.911 0.884 . . . . 0.0 110.893 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 -68.14 -34.11 75.74 Favored 'General case' 0 N--CA 1.456 -0.161 0 O-C-N 121.681 -0.637 . . . . 0.0 109.726 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.428 HD21 ' HE2' ' B' ' 41' ' ' LYS . 42.8 mt -78.31 -37.25 45.11 Favored 'General case' 0 CA--C 1.523 -0.069 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 178.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 37.5 mtt -56.4 -39.98 73.89 Favored 'General case' 0 C--N 1.337 0.065 0 CA-C-N 119.006 0.821 . . . . 0.0 109.526 178.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 56.6 m -61.33 -18.52 58.99 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.434 0.902 . . . . 0.0 113.434 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -81.95 -32.65 30.66 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 119.591 1.087 . . . . 0.0 109.096 178.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.36 -0.16 6.4 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 125.657 1.599 . . . . 0.0 112.83 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -70.69 125.25 26.29 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 118.779 1.289 . . . . 0.0 107.702 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.7 m -65.9 156.71 32.63 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 122.956 0.502 . . . . 0.0 111.183 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -53.04 -49.0 67.19 Favored 'General case' 0 N--CA 1.458 -0.049 0 C-N-CA 123.756 0.822 . . . . 0.0 111.366 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -57.94 -45.11 87.1 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 123.527 0.731 . . . . 0.0 111.657 -179.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -64.52 -45.9 85.21 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 54.1 mt -57.63 -55.55 20.68 Favored 'Isoleucine or valine' 0 C--N 1.341 0.237 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . 0.402 ' O ' HG23 ' B' ' 31' ' ' VAL . 14.1 mm-40 -51.9 -53.96 34.84 Favored 'General case' 0 C--O 1.219 -0.505 0 C-N-CA 124.833 1.253 . . . . 0.0 110.82 179.227 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -54.68 -41.58 70.37 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 120.353 1.433 . . . . 0.0 110.143 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.25 -42.74 93.0 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 178.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 50.7 mt -67.88 2.19 2.15 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.105 1.362 . . . . 0.0 113.198 178.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 27' ' ' GLN . 89.4 t -112.91 -18.67 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 126.454 1.902 . . . . 0.0 110.447 177.249 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 36.1 mt -102.86 -33.95 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 O-C-N 121.071 -1.018 . . . . 0.0 113.3 -178.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.467 ' HB1' ' HB3' ' B' ' 39' ' ' MET . . . -83.89 11.4 7.73 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.801 1.641 . . . . 0.0 111.922 179.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 9.3 m170 52.07 50.91 17.49 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.957 1.703 . . . . 0.0 110.784 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 5.9 m120 59.69 11.38 2.4 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 130.058 3.343 . . . . 0.0 112.015 -179.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -76.82 97.59 4.58 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 106.168 -1.79 . . . . 0.0 106.168 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 5.6 tp -53.68 -42.05 49.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 124.332 1.053 . . . . 0.0 111.186 -178.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -62.8 -39.84 95.51 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 121.351 -0.843 . . . . 0.0 112.285 -178.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . 0.467 ' HB3' ' HB1' ' B' ' 33' ' ' ALA . 6.5 ttt -70.76 -46.02 63.71 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 179.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.85 -39.51 85.44 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.288 0.494 . . . . 0.0 110.95 179.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.428 ' HE2' HD21 ' B' ' 16' ' ' LEU . 80.2 mttt -55.95 -43.49 77.51 Favored 'General case' 0 N--CA 1.461 0.109 0 C-N-CA 124.268 1.027 . . . . 0.0 109.065 178.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -65.03 -39.21 93.03 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 118.665 -0.683 . . . . 0.0 110.499 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 49.9 mt -59.82 -60.87 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 CA-C-N 119.193 0.906 . . . . 0.0 108.845 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 62.5 mt -51.7 -47.85 63.77 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.426 1.491 . . . . 0.0 112.041 -178.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -58.87 -25.17 63.08 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -103.7 -55.85 2.31 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 118.872 0.76 . . . . 0.0 111.207 -179.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -74.09 -21.17 60.02 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 -178.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -122.24 17.73 10.69 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.931 1.692 . . . . 0.0 109.286 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -133.74 177.77 18.81 Favored Glycine 0 CA--C 1.527 0.837 0 C-N-CA 125.594 1.569 . . . . 0.0 109.947 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -76.03 172.82 15.57 Favored 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 122.935 2.423 . . . . 0.0 110.025 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 67.6 m -83.95 -62.93 1.44 Allowed 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 105.296 -2.113 . . . . 0.0 105.296 177.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 11.9 p -61.62 120.13 10.0 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.277 0 N-CA-C 109.179 -1.568 . . . . 0.0 109.179 -179.729 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.776 0 CA-C-O 121.799 0.666 . . . . 0.0 112.972 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.6 p -163.57 173.2 13.32 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 125.694 1.598 . . . . 0.0 107.712 178.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 p -72.1 84.41 1.01 Allowed 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.83 117.2 4.36 Favored Glycine 0 C--N 1.33 0.237 0 N-CA-C 108.152 -1.979 . . . . 0.0 108.152 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -107.82 178.56 4.49 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 118.361 1.08 . . . . 0.0 108.804 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.1 p -147.3 168.36 21.95 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -178.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.28 2.1 77.7 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 118.001 1.96 . . . . 0.0 118.001 178.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -145.78 89.77 1.93 Allowed 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 121.462 2.631 . . . . 0.0 108.252 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.78 -20.04 65.16 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -178.639 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.0 p -60.76 -27.57 68.06 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.873 1.215 . . . . 0.0 111.17 178.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.6 m -76.52 -25.7 54.44 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.291 0.636 . . . . 0.0 110.313 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -80.49 -26.82 37.99 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 123.756 0.823 . . . . 0.0 111.21 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.6 mt -57.96 -41.36 80.01 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 178.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -57.58 -41.03 80.3 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 125.294 1.438 . . . . 0.0 111.471 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -68.55 -37.89 80.33 Favored 'General case' 0 C--N 1.341 0.215 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.0 mt -68.04 -35.57 78.48 Favored 'General case' 0 C--O 1.228 -0.056 0 C-N-CA 123.825 0.85 . . . . 0.0 110.804 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 46.9 mtt -57.54 -46.13 84.24 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.931 0.787 . . . . 0.0 108.891 178.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.0 t -58.81 -39.11 80.2 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 122.908 0.483 . . . . 0.0 109.807 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -64.85 -8.13 14.04 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.171 -0.956 . . . . 0.0 112.323 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.97 3.33 59.15 Favored Glycine 0 C--N 1.335 0.479 0 CA-C-O 117.516 -1.714 . . . . 0.0 114.38 178.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -78.85 145.92 33.96 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 120.525 2.162 . . . . 0.0 107.439 179.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.7 m -73.87 154.44 39.44 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 121.495 -0.753 . . . . 0.0 110.671 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -60.15 -43.31 95.85 Favored 'General case' 0 C--O 1.232 0.135 0 O-C-N 122.247 -0.283 . . . . 0.0 111.297 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -58.73 -52.58 65.11 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.34 -54.67 37.22 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.957 1.303 . . . . 0.0 109.03 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 70.1 mt -50.58 -50.93 20.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 124.015 0.926 . . . . 0.0 110.781 -179.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -65.38 -50.65 64.71 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.738 0.415 . . . . 0.0 111.142 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -55.44 -34.29 64.35 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 120.969 -1.082 . . . . 0.0 110.718 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.05 -48.74 77.4 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 178.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 79.1 mt -58.62 -46.45 87.02 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.683 0.793 . . . . 0.0 110.809 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.3 t -52.85 -47.32 52.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 124.27 1.028 . . . . 0.0 110.872 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.1 mt -79.98 -23.45 11.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 C-N-CA 124.065 0.946 . . . . 0.0 111.537 -178.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.12 10.23 22.6 Favored 'General case' 0 N--CA 1.448 -0.553 0 O-C-N 121.061 -1.024 . . . . 0.0 110.848 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 17.2 m170 52.84 46.95 25.74 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.476 1.111 . . . . 0.0 109.212 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 67.06 5.29 4.02 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 128.393 2.677 . . . . 0.0 113.816 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -73.41 103.79 4.19 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 119.315 0.961 . . . . 0.0 109.71 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.8 tp -61.44 -38.69 80.63 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.242 0 C-N-CA 123.642 0.777 . . . . 0.0 112.515 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -67.11 -42.84 83.84 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 123.857 0.863 . . . . 0.0 111.231 -178.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 9.9 ttt -64.84 -50.6 66.03 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 106.689 -1.597 . . . . 0.0 106.689 178.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.3 -41.14 79.29 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.227 1.011 . . . . 0.0 111.256 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.4 mttm -57.33 -41.49 80.08 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 123.849 0.86 . . . . 0.0 109.73 178.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -64.97 -42.66 94.38 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 58.8 mt -57.92 -55.75 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.4 mt -56.84 -36.14 69.64 Favored 'General case' 0 C--O 1.226 -0.183 0 C-N-CA 123.53 0.732 . . . . 0.0 112.516 -179.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -74.92 -29.26 60.92 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -102.42 -23.95 13.89 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 -178.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -102.49 -69.85 0.77 Allowed 'General case' 0 C--O 1.235 0.301 0 C-N-CA 124.497 1.119 . . . . 0.0 108.68 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.2 m -69.51 -177.79 1.27 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.626 0.771 . . . . 0.0 109.028 178.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -150.2 169.85 30.2 Favored Glycine 0 CA--C 1.525 0.695 0 O-C-N 120.638 -1.289 . . . . 0.0 111.721 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -73.97 98.93 1.12 Allowed 'Trans proline' 0 N--CA 1.45 -1.067 0 C-N-CA 122.81 2.34 . . . . 0.0 109.602 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 90.6 p -58.35 -30.46 66.77 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.388 -0.82 . . . . 0.0 110.248 179.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.7 p -138.32 156.84 47.26 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 127.636 2.374 . . . . 0.0 106.762 178.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.766 0 N-CA-C 106.129 -2.788 . . . . 0.0 106.129 179.445 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.531 0 N-CA-C 109.702 -1.359 . . . . 0.0 109.702 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 11.8 p -163.04 177.81 8.85 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 124.852 1.261 . . . . 0.0 108.9 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.1 113.85 5.39 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 179.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.02 169.71 25.58 Favored Glycine 0 CA--C 1.52 0.403 0 N-CA-C 109.951 -1.26 . . . . 0.0 109.951 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 55.1 m -144.93 172.07 13.56 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 124.298 1.039 . . . . 0.0 110.866 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 25.1 p -129.81 138.47 51.04 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 126.407 1.883 . . . . 0.0 106.077 178.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.11 -20.12 5.68 Favored Glycine 0 CA--C 1.526 0.733 0 CA-C-O 119.495 -0.614 . . . . 0.0 114.247 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -143.44 138.05 29.03 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 118.308 1.054 . . . . 0.0 108.473 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.445 HD23 HD22 ' B' ' 30' ' ' LEU . 2.7 mp -102.52 -21.73 14.15 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 117.61 -1.186 . . . . 0.0 114.196 -179.224 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 13.8 p -56.65 -39.46 73.75 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 120.156 1.343 . . . . 0.0 111.028 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -54.85 -32.21 60.42 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.762 1.625 . . . . 0.0 112.351 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -85.69 -24.92 26.8 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 121.507 -0.746 . . . . 0.0 110.093 179.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 42.3 mt -65.31 -42.27 93.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 N-CA-C 105.896 -1.891 . . . . 0.0 105.896 178.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -58.57 -36.14 73.48 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.481 0.712 . . . . 0.0 110.104 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -72.34 -40.93 67.01 Favored 'General case' 0 C--N 1.34 0.164 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 68.5 mt -65.88 -36.43 83.39 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 53.2 mtt -60.87 -39.14 88.07 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 177.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.89 -38.08 81.24 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.9 0.88 . . . . 0.0 109.573 178.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -69.95 -6.41 32.91 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.957 0.799 . . . . 0.0 111.255 178.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.34 -4.69 67.27 Favored Glycine 0 CA--C 1.522 0.482 0 C-N-CA 125.646 1.594 . . . . 0.0 114.645 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -61.9 145.28 53.27 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 118.96 1.38 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 64.0 m -78.23 144.64 36.05 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 178.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -55.84 -40.82 73.36 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 124.652 1.181 . . . . 0.0 110.963 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -60.04 -54.57 44.42 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -57.94 -42.95 85.95 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 119.124 0.875 . . . . 0.0 110.386 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 64.1 mt -59.0 -54.44 34.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-N 118.983 0.811 . . . . 0.0 109.418 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -62.2 -49.55 75.32 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.77 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -53.81 -39.35 65.44 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 120.634 1.561 . . . . 0.0 110.077 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.14 -50.52 63.71 Favored 'General case' 0 C--O 1.223 -0.331 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.445 HD22 HD23 ' B' ' 9' ' ' LEU . 41.1 mt -60.51 -28.7 68.59 Favored 'General case' 0 C--O 1.231 0.084 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 179.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 43.2 t -70.97 -58.35 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 179.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 47.7 mt -64.28 -29.65 47.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 124.433 1.093 . . . . 0.0 110.93 -178.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.0 1.48 23.75 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.221 -0.924 . . . . 0.0 110.612 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 22.9 m170 56.36 59.35 3.69 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 126.731 2.012 . . . . 0.0 108.775 -179.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 14.9 m120 59.49 16.35 5.18 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.482 1.913 . . . . 0.0 113.56 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -93.25 103.68 15.92 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 120.532 -1.355 . . . . 0.0 108.704 179.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 6.1 tp -63.37 -37.95 80.87 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.253 0 C-N-CA 124.411 1.084 . . . . 0.0 112.546 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -65.95 -45.75 80.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 119.016 0.826 . . . . 0.0 109.999 -178.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 12.1 ttt -64.28 -47.62 78.82 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 125.269 1.428 . . . . 0.0 107.17 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.74 -41.78 96.04 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.751 -0.593 . . . . 0.0 110.938 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -57.36 -35.06 69.46 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 123.698 0.799 . . . . 0.0 109.547 178.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -69.71 -41.13 75.76 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-O 118.406 -0.806 . . . . 0.0 109.588 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 51.7 mt -59.47 -48.58 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 N-CA-C 105.722 -1.955 . . . . 0.0 105.722 178.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 96.7 mt -66.87 2.37 1.45 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.392 1.077 . . . . 0.0 112.728 178.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 20.7 ttt85 -121.03 -2.52 9.68 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 120.079 1.309 . . . . 0.0 112.389 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -137.99 4.39 2.5 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.984 1.314 . . . . 0.0 111.739 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -134.75 -69.3 0.52 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.69 1.596 . . . . 0.0 109.784 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 72.8 m -73.96 -119.49 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.429 1.092 . . . . 0.0 108.59 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 130.9 168.91 12.33 Favored Glycine 0 CA--C 1.524 0.599 0 O-C-N 120.087 -1.633 . . . . 0.0 110.583 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -68.99 166.38 26.83 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 122.75 2.3 . . . . 0.0 108.138 178.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 84.7 p -126.69 -20.7 4.25 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 81.0 p -138.56 -155.59 0.61 Allowed 'General case' 0 C--O 1.242 0.687 0 C-N-CA 124.429 1.092 . . . . 0.0 110.142 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 N-CA-C 106.467 -2.653 . . . . 0.0 106.467 -178.97 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.74 0 N-CA-C 111.766 -0.533 . . . . 0.0 111.766 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 t -159.12 159.3 34.34 Favored 'General case' 0 C--O 1.24 0.567 0 C-N-CA 123.744 0.818 . . . . 0.0 109.832 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.3 p -169.71 149.43 3.82 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 126.082 1.753 . . . . 0.0 108.66 177.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.89 98.97 0.2 Allowed Glycine 0 CA--C 1.52 0.355 0 N-CA-C 108.54 -1.824 . . . . 0.0 108.54 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 m -77.59 143.61 38.16 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.689 0.796 . . . . 0.0 112.454 -179.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 p -164.47 165.34 21.46 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.342 1.457 . . . . 0.0 109.41 179.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.74 -154.02 46.46 Favored Glycine 0 CA--C 1.526 0.744 0 O-C-N 120.841 -1.162 . . . . 0.0 112.597 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -94.12 117.26 29.86 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 124.512 1.125 . . . . 0.0 109.466 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.5 tt -52.6 -35.42 54.32 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.213 1.005 . . . . 0.0 112.958 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 72.4 m -54.3 -22.89 13.12 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.994 1.27 . . . . 0.0 113.129 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.1 m -71.67 -32.35 67.77 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.761 1.224 . . . . 0.0 110.726 179.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -71.56 -29.3 64.58 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.137 1.375 . . . . 0.0 110.47 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.498 HG23 HG21 ' A' ' 26' ' ' ILE . 43.0 mt -59.88 -45.25 95.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 178.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -63.41 -34.14 77.09 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.094 0.958 . . . . 0.0 110.509 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -72.1 -31.7 66.3 Favored 'General case' 0 C--N 1.346 0.418 0 CA-C-N 118.664 0.665 . . . . 0.0 109.439 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.3 mt -71.32 -39.26 71.5 Favored 'General case' 0 C--O 1.227 -0.099 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 178.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.7 mtt -56.07 -34.59 66.1 Favored 'General case' 0 CA--C 1.53 0.2 0 O-C-N 121.953 -0.467 . . . . 0.0 111.673 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.1 m -68.82 -12.25 61.32 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -99.54 -1.18 38.97 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.52 1.528 . . . . 0.0 112.285 -178.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.5 14.17 35.98 Favored Glycine 0 C--N 1.34 0.781 0 CA-C-O 118.83 -0.983 . . . . 0.0 114.21 179.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -96.7 124.18 40.6 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 118.704 1.252 . . . . 0.0 110.748 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.7 m -70.17 152.82 43.84 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.915 1.286 . . . . 0.0 112.026 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -52.99 -43.27 66.31 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.375 0.67 . . . . 0.0 111.982 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -57.62 -56.39 22.5 Favored 'General case' 0 C--O 1.226 -0.152 0 C-N-CA 124.141 0.976 . . . . 0.0 110.258 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -55.96 -43.71 77.78 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 124.729 1.212 . . . . 0.0 110.037 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.498 HG21 HG23 ' A' ' 13' ' ' ILE . 65.1 mt -57.59 -50.02 78.65 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 CA-C-N 118.755 0.707 . . . . 0.0 109.71 179.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -63.85 -38.82 92.51 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.636 0.653 . . . . 0.0 110.197 178.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -63.73 -42.45 97.89 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 120.705 -1.247 . . . . 0.0 109.472 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.76 -38.98 90.55 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.664 -0.647 . . . . 0.0 109.365 178.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.3 mt -63.62 -54.31 37.88 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 123.747 0.819 . . . . 0.0 111.407 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.5 p -56.7 -48.51 80.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 118.717 0.689 . . . . 0.0 110.566 -179.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 76.6 mt -63.31 -29.33 46.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 122.685 0.394 . . . . 0.0 110.308 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.25 15.05 9.59 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.977 0.911 . . . . 0.0 112.017 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.2 m170 55.7 41.29 30.56 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 119.949 1.25 . . . . 0.0 109.946 -178.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 65.51 6.56 3.83 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 128.216 2.606 . . . . 0.0 113.038 -179.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -70.74 100.77 1.95 Allowed 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.26 1.024 . . . . 0.0 108.619 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.8 tp -54.84 -46.14 75.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 C-N-CA 123.869 0.867 . . . . 0.0 111.586 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -59.82 -45.76 91.36 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 123.057 0.543 . . . . 0.0 111.718 -178.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.8 ttt -65.58 -49.48 68.67 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.917 1.287 . . . . 0.0 107.969 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.14 -38.36 76.4 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.412 0.685 . . . . 0.0 110.776 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -60.45 -42.12 95.52 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -63.02 -42.25 99.76 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 118.502 -0.761 . . . . 0.0 109.366 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 68.1 mt -54.83 -58.58 3.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.3 mt -54.51 -36.37 64.15 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 123.799 0.84 . . . . 0.0 112.349 -179.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 43.8 ttt180 -64.85 -34.39 78.27 Favored 'General case' 0 C--O 1.23 0.064 0 N-CA-C 114.309 1.225 . . . . 0.0 114.309 -179.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -100.28 -33.19 10.51 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 118.865 0.757 . . . . 0.0 112.245 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -89.27 -23.67 22.25 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 115.432 1.642 . . . . 0.0 115.432 -177.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.4 t -120.25 -172.84 2.44 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -174.76 167.69 40.01 Favored Glycine 0 N--CA 1.447 -0.611 0 O-C-N 121.226 -0.921 . . . . 0.0 111.284 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.29 98.74 0.4 Allowed 'Trans proline' 0 N--CA 1.445 -1.331 0 C-N-CA 123.697 2.931 . . . . 0.0 107.342 179.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.0 m -64.6 161.1 18.23 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 124.591 1.156 . . . . 0.0 109.386 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.4 t -74.06 174.35 8.77 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.858 0 N-CA-C 105.468 -3.053 . . . . 0.0 105.468 -179.154 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.9 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.1 t -89.66 163.9 14.94 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 178.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 81.2 p -159.78 158.66 31.56 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 126.695 1.998 . . . . 0.0 105.889 178.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.8 175.79 19.16 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 109.787 -1.325 . . . . 0.0 109.787 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -158.89 92.88 1.13 Allowed 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 121.975 -0.721 . . . . 0.0 110.795 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 77.8 p -136.97 151.41 48.98 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 177.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.58 172.03 41.06 Favored Glycine 0 CA--C 1.529 0.947 0 N-CA-C 108.619 -1.792 . . . . 0.0 108.619 -178.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -63.45 135.95 57.26 Favored 'General case' 0 C--O 1.232 0.137 0 O-C-N 121.407 -1.055 . . . . 0.0 109.573 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 7.2 tt -60.39 -31.66 70.57 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 119.169 -0.443 . . . . 0.0 110.099 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 3.3 m -58.12 -38.48 76.59 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 119.1 0.864 . . . . 0.0 111.078 178.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 50.7 m -59.86 -35.18 74.26 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.925 0.784 . . . . 0.0 109.774 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -73.45 -32.62 64.46 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.36 0.664 . . . . 0.0 110.499 179.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 82.1 mt -60.44 -45.09 97.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 CA-C-N 119.757 1.162 . . . . 0.0 109.007 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -60.45 -30.6 69.76 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.249 0.22 . . . . 0.0 111.064 -179.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -68.4 -38.92 81.73 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 121.206 -0.934 . . . . 0.0 109.789 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 20.0 mt -63.01 -30.01 71.27 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 119.057 -0.497 . . . . 0.0 110.551 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 34.7 mtt -63.75 -30.68 71.75 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.26 0.936 . . . . 0.0 110.237 179.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 71.1 m -65.67 -29.19 69.72 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.559 0.618 . . . . 0.0 109.907 178.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -82.91 4.78 24.25 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.834 0.854 . . . . 0.0 111.427 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.74 1.6 85.13 Favored Glycine 0 C--N 1.338 0.662 0 C-N-CA 126.105 1.812 . . . . 0.0 115.082 178.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -72.97 138.72 46.25 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 118.592 1.196 . . . . 0.0 110.571 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 75.7 m -78.3 145.85 35.12 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 124.475 1.11 . . . . 0.0 108.945 179.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -53.48 -41.56 66.34 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.193 0.997 . . . . 0.0 111.615 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -60.45 -47.02 87.93 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 118.6 0.636 . . . . 0.0 110.23 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . 0.564 ' HA ' ' HE3' ' B' ' 28' ' ' LYS . 52.9 m-20 -60.42 -46.16 91.03 Favored 'General case' 0 CA--C 1.521 -0.168 0 C-N-CA 123.862 0.865 . . . . 0.0 108.691 178.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 50.3 mt -57.04 -47.7 83.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -62.15 -50.43 71.9 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 117.869 -1.062 . . . . 0.0 111.26 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.564 ' HE3' ' HA ' ' B' ' 25' ' ' ASP . 43.6 mtmt -55.23 -46.48 75.98 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 124.848 1.259 . . . . 0.0 109.717 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.32 -42.43 98.67 Favored 'General case' 0 C--O 1.223 -0.312 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 24.7 mt -65.16 -29.01 69.81 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-O 117.973 -1.013 . . . . 0.0 111.727 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 39.5 t -72.51 -55.63 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.099 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 178.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 55.5 mt -62.84 -24.71 36.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 C-N-CA 124.79 1.236 . . . . 0.0 112.12 -178.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.06 5.58 40.37 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 120.759 -1.213 . . . . 0.0 110.087 178.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 17.2 m170 54.2 58.51 4.92 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.284 1.834 . . . . 0.0 108.138 -178.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 13.8 m120 60.13 6.94 1.07 Allowed 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 128.293 2.637 . . . . 0.0 113.893 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -82.06 104.31 12.32 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 120.66 -1.275 . . . . 0.0 111.353 -179.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 4.6 tp -60.44 -39.54 81.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 123.644 0.778 . . . . 0.0 112.16 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -59.0 -47.77 84.01 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 119.215 0.916 . . . . 0.0 110.744 -179.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 12.0 ttt -66.33 -46.28 77.4 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 124.858 1.263 . . . . 0.0 108.682 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.65 -39.79 85.57 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.284 0.493 . . . . 0.0 111.333 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -56.77 -45.5 82.07 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -62.88 -37.75 88.14 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-O 118.074 -0.965 . . . . 0.0 111.982 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 68.2 mt -59.2 -57.21 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-N 119.888 1.222 . . . . 0.0 107.868 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 31.2 mt -56.79 -35.0 68.21 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 125.127 1.371 . . . . 0.0 111.026 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 36.4 ttt180 -63.53 -27.3 69.17 Favored 'General case' 0 C--O 1.228 -0.067 0 N-CA-C 114.325 1.232 . . . . 0.0 114.325 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -109.67 -47.82 3.31 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 119.894 1.225 . . . . 0.0 111.324 -178.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -72.63 -59.39 2.74 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 122.976 0.51 . . . . 0.0 111.429 -179.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.77 -179.17 7.35 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 122.123 0.963 . . . . 0.0 110.838 -179.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 179.87 171.07 42.36 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 108.933 -1.667 . . . . 0.0 108.933 179.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -73.77 83.17 1.61 Allowed 'Trans proline' 0 N--CA 1.451 -1.011 0 C-N-CA 123.749 2.966 . . . . 0.0 108.867 179.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 18.6 m -61.17 164.55 5.14 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.283 1.033 . . . . 0.0 110.372 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 9.8 t -50.78 109.56 0.33 Allowed 'General case' 0 C--O 1.237 0.427 0 C-N-CA 125.071 1.348 . . . . 0.0 111.547 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.245 -1.309 . . . . 0.0 110.428 179.893 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.512 0 N-CA-C 109.096 -1.602 . . . . 0.0 109.096 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.2 m -61.11 156.21 18.67 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 124.792 1.237 . . . . 0.0 111.103 -179.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.89 163.05 33.95 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 124.552 1.141 . . . . 0.0 109.96 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.25 172.94 20.27 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 125.766 1.651 . . . . 0.0 110.224 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.3 m -68.15 157.11 36.08 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 123.584 0.754 . . . . 0.0 110.378 179.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.2 m -113.43 172.57 6.88 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.086 1.355 . . . . 0.0 109.188 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.56 -113.53 0.57 Allowed Glycine 0 C--N 1.331 0.292 0 N-CA-C 108.343 -1.903 . . . . 0.0 108.343 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -101.99 148.77 24.96 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.4 mp -70.61 -18.49 62.88 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 118.537 -0.744 . . . . 0.0 112.274 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.6 m -65.0 -29.96 70.92 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 120.232 1.378 . . . . 0.0 109.526 178.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 56.8 m -68.24 -19.73 64.76 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 118.79 0.723 . . . . 0.0 110.542 178.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -78.57 -26.58 45.59 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.045 -1.035 . . . . 0.0 108.834 179.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.49 -45.85 97.78 Favored 'Isoleucine or valine' 0 C--N 1.343 0.304 0 N-CA-C 105.712 -1.959 . . . . 0.0 105.712 178.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -59.74 -28.37 67.3 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.632 0.773 . . . . 0.0 111.105 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -84.91 -34.67 22.49 Favored 'General case' 0 C--N 1.342 0.257 0 CA-C-N 119.037 0.835 . . . . 0.0 110.856 179.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.489 HD21 ' HG2' ' A' ' 41' ' ' LYS . 20.0 mt -69.14 -33.02 72.79 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 118.762 -0.637 . . . . 0.0 110.185 179.047 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.0 mtt -53.34 -44.77 68.76 Favored 'General case' 0 C--N 1.341 0.208 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 m -60.14 1.11 0.12 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 127.249 2.22 . . . . 0.0 115.502 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -111.9 -7.58 14.15 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.604 1.162 . . . . 0.0 110.915 178.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.14 -4.22 31.64 Favored Glycine 0 C--N 1.337 0.631 0 C-N-CA 125.541 1.543 . . . . 0.0 113.901 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -76.79 118.22 19.18 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 118.946 1.373 . . . . 0.0 108.274 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.4 m -66.46 155.89 36.27 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -50.52 -43.92 56.08 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.752 0.821 . . . . 0.0 112.316 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -60.24 -45.24 93.93 Favored 'General case' 0 C--O 1.224 -0.266 0 C-N-CA 123.083 0.553 . . . . 0.0 110.814 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -61.48 -46.49 89.81 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.8 mt -58.8 -46.48 90.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -59.89 -51.39 69.89 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 124.646 1.178 . . . . 0.0 110.535 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.3 mtpt -56.71 -46.09 81.46 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 124.109 0.964 . . . . 0.0 109.453 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.19 -41.49 97.07 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 118.864 0.756 . . . . 0.0 110.458 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 27.6 mt -61.73 -54.4 43.08 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 118.754 0.706 . . . . 0.0 111.844 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.6 p -57.49 -39.53 69.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 CA-C-N 118.661 0.664 . . . . 0.0 111.646 -178.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.435 HD11 ' HG3' ' B' ' 46' ' ' GLU . 66.8 mt -71.39 -33.18 49.13 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 O-C-N 121.425 -0.797 . . . . 0.0 110.078 179.514 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.31 4.05 32.85 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.177 1.391 . . . . 0.0 111.807 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 21.7 m170 58.48 53.36 6.28 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.488 1.515 . . . . 0.0 108.474 -178.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 44.5 t30 62.42 6.01 1.8 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 127.817 2.447 . . . . 0.0 114.001 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -75.06 103.65 5.33 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 119.106 0.867 . . . . 0.0 108.717 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 8.6 tp -60.88 -40.42 85.18 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 123.27 0.628 . . . . 0.0 112.616 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.42 -40.26 95.98 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 119.284 0.947 . . . . 0.0 111.096 -178.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 21.1 ttt -74.05 -46.96 39.98 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 125.174 1.39 . . . . 0.0 108.204 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.72 -38.57 78.64 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.228 1.011 . . . . 0.0 110.568 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.489 ' HG2' HD21 ' A' ' 16' ' ' LEU . 69.8 mttt -59.57 -43.09 93.7 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 118.14 -0.934 . . . . 0.0 109.468 178.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -60.0 -44.4 94.57 Favored 'General case' 0 N--CA 1.458 -0.031 0 CA-C-O 118.555 -0.736 . . . . 0.0 109.704 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 63.7 mt -53.94 -55.91 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.4 mt -58.84 -41.1 86.14 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 123.499 0.719 . . . . 0.0 112.902 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -73.73 -6.83 49.32 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 116.103 1.89 . . . . 0.0 116.103 -178.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.533 ' HB3' ' HE3' ' B' ' 28' ' ' LYS . 44.1 mm-40 -120.13 -40.42 2.72 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -179.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -92.24 -31.0 15.59 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 119.228 0.922 . . . . 0.0 111.417 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.2 m -109.44 -177.4 3.28 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 124.823 1.249 . . . . 0.0 108.064 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -165.7 179.55 39.94 Favored Glycine 0 CA--C 1.526 0.774 0 O-C-N 121.388 -0.82 . . . . 0.0 111.964 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -72.46 157.64 52.61 Favored 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 123.063 2.509 . . . . 0.0 109.58 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.6 p -120.98 -23.6 5.81 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.344 1.058 . . . . 0.0 113.36 -179.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.5 m -142.8 128.55 19.31 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.765 0 CA-C-O 118.06 -1.411 . . . . 0.0 109.574 -179.603 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.831 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 32.1 m -54.9 132.61 46.95 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 125.374 1.47 . . . . 0.0 110.196 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 66.6 p -146.21 173.32 12.33 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 120.993 0.425 . . . . 0.0 111.794 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.58 177.81 41.24 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.267 -1.133 . . . . 0.0 110.267 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.28 134.4 45.54 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 179.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 20.7 m -135.68 171.98 13.67 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 126.835 2.054 . . . . 0.0 107.375 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.1 -42.63 0.5 Allowed Glycine 0 CA--C 1.519 0.321 0 N-CA-C 110.192 -1.163 . . . . 0.0 110.192 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -141.42 141.3 33.73 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 178.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 9.8 mp -63.65 -29.75 70.95 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.283 1.033 . . . . 0.0 108.793 179.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 15.8 m -55.01 -38.36 67.79 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 124.801 1.241 . . . . 0.0 109.837 178.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.78 -41.79 64.65 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.531 1.532 . . . . 0.0 110.3 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -63.18 -38.73 92.33 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.4 1.08 . . . . 0.0 110.243 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 50.3 mt -58.18 -41.67 81.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 C-N-CA 124.803 1.241 . . . . 0.0 108.817 179.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -65.9 -25.35 67.12 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 121.759 -0.588 . . . . 0.0 111.576 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -80.98 -26.14 36.78 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 119.359 0.981 . . . . 0.0 109.534 178.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 14.7 mt -68.56 -37.01 79.55 Favored 'General case' 0 C--O 1.232 0.16 0 O-C-N 121.378 -0.826 . . . . 0.0 109.076 179.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 54.4 mtt -55.8 -40.12 72.26 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 123.648 0.779 . . . . 0.0 109.833 178.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 2.7 m -57.94 -18.91 26.43 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.529 1.531 . . . . 0.0 112.9 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -93.39 -22.41 18.94 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 119.531 1.059 . . . . 0.0 110.832 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.52 -20.81 5.47 Favored Glycine 0 C--N 1.337 0.637 0 C-N-CA 124.502 1.048 . . . . 0.0 114.226 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -58.04 122.02 12.03 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 9.7 m -68.78 158.24 34.76 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.967 0.413 . . . . 0.0 110.289 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -55.66 -45.2 77.75 Favored 'General case' 0 N--CA 1.455 -0.201 0 O-C-N 121.676 -0.64 . . . . 0.0 111.72 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -62.02 -39.8 93.53 Favored 'General case' 0 N--CA 1.457 -0.093 0 CA-C-O 118.938 -0.553 . . . . 0.0 111.101 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -63.54 -47.59 80.97 Favored 'General case' 0 CA--C 1.52 -0.175 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 53.9 mt -58.47 -51.76 67.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -57.06 -44.12 82.74 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 118.688 0.676 . . . . 0.0 110.473 179.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.533 ' HE3' ' HB3' ' A' ' 46' ' ' GLU . 34.2 mtpt -60.0 -46.59 88.98 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 123.699 0.8 . . . . 0.0 109.727 179.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.75 -46.5 87.76 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.566 -0.709 . . . . 0.0 109.597 179.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -57.96 -56.8 17.37 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.58 0.752 . . . . 0.0 111.718 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 6.0 p -56.09 -47.31 80.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 118.228 0.467 . . . . 0.0 111.901 -178.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 88.9 mt -65.12 -33.78 66.08 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 CA-C-O 119.018 -0.515 . . . . 0.0 110.034 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.93 12.48 1.35 Allowed 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.055 0.843 . . . . 0.0 111.171 178.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 19.9 m170 60.52 34.88 20.29 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.55 1.54 . . . . 0.0 108.401 -178.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 61.2 t30 76.32 4.97 3.67 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 129.748 3.219 . . . . 0.0 113.364 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -75.34 105.25 6.27 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 120.465 -1.397 . . . . 0.0 109.427 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 6.6 tp -57.48 -39.4 68.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 125.218 1.407 . . . . 0.0 113.463 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -65.4 -47.1 77.45 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 124.148 0.979 . . . . 0.0 110.13 -178.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 15.2 ttt -65.83 -41.65 91.52 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 125.636 1.574 . . . . 0.0 108.174 179.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.86 -36.08 83.19 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.236 1.015 . . . . 0.0 111.218 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -61.91 -40.09 94.26 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -62.4 -40.34 96.2 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-O 118.522 -0.751 . . . . 0.0 109.407 178.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 69.9 mt -58.13 -55.88 19.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 62.1 mt -55.56 -49.24 73.21 Favored 'General case' 0 C--O 1.223 -0.33 0 C-N-CA 123.136 0.575 . . . . 0.0 110.968 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 33.1 ttm-85 -61.36 -41.51 97.19 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.435 ' HG3' HD11 ' A' ' 32' ' ' ILE . 65.6 mm-40 -79.64 -31.4 41.54 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 115.826 1.788 . . . . 0.0 115.826 -177.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -107.17 -51.18 2.96 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 119.56 1.073 . . . . 0.0 112.967 -178.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 14.0 m -84.79 -179.44 7.1 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.252 1.421 . . . . 0.0 110.938 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -167.43 178.61 41.39 Favored Glycine 0 CA--C 1.528 0.905 0 O-C-N 120.978 -1.076 . . . . 0.0 111.396 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -65.91 170.28 11.83 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 123.675 2.917 . . . . 0.0 111.448 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 9.3 p -126.18 -22.1 4.14 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.116 1.366 . . . . 0.0 112.597 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 19.7 t -154.01 179.62 8.75 Favored 'General case' 0 C--O 1.242 0.676 0 C-N-CA 125.166 1.386 . . . . 0.0 108.848 178.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.935 0 CA-C-O 116.977 -2.013 . . . . 0.0 109.966 -179.133 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.902 0 N-CA-C 109.97 -1.252 . . . . 0.0 109.97 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.6 p -65.88 173.77 2.77 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 117.312 0.556 . . . . 0.0 111.242 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.3 p -147.18 -160.71 1.2 Allowed 'General case' 0 C--O 1.241 0.615 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 178.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.71 -42.51 1.89 Allowed Glycine 0 CA--C 1.519 0.334 0 CA-C-O 118.149 -1.362 . . . . 0.0 113.2 178.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -146.62 -59.9 0.3 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-N 118.927 1.364 . . . . 0.0 111.397 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.97 178.75 4.11 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 122.957 0.503 . . . . 0.0 111.209 -179.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.79 -9.02 0.45 Allowed Glycine 0 CA--C 1.529 0.936 0 C-N-CA 124.847 1.213 . . . . 0.0 113.599 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 -55.76 142.31 35.1 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 126.071 1.748 . . . . 0.0 108.055 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -80.29 -14.3 58.49 Favored 'General case' 0 C--O 1.227 -0.117 0 N-CA-C 115.72 1.748 . . . . 0.0 115.72 -178.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.55 -47.06 76.97 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 121.165 1.802 . . . . 0.0 110.302 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.3 p -69.63 -31.22 69.19 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 125.34 1.456 . . . . 0.0 110.813 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -66.57 -27.55 67.82 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 121.283 -0.886 . . . . 0.0 110.386 178.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.5 mt -66.22 -46.53 87.16 Favored 'Isoleucine or valine' 0 C--N 1.341 0.221 0 N-CA-C 105.557 -2.016 . . . . 0.0 105.557 178.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -57.41 -42.23 81.87 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 117.989 0.359 . . . . 0.0 110.546 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -60.78 -33.33 72.81 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 118.979 -0.534 . . . . 0.0 110.061 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 16' ' ' LEU . 32.8 mt -76.56 -24.57 53.57 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 119.061 0.846 . . . . 0.0 111.86 179.106 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 64.3 mtt -60.33 -32.22 71.04 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.0 m -64.21 -13.24 47.62 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 125.773 1.629 . . . . 0.0 113.416 179.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -93.51 -19.17 21.49 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.913 0.779 . . . . 0.0 109.437 178.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.51 6.3 27.23 Favored Glycine 0 CA--C 1.534 1.265 0 CA-C-O 118.573 -1.126 . . . . 0.0 113.998 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -81.35 151.07 28.16 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 119.272 1.536 . . . . 0.0 107.625 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.9 m -86.86 152.01 22.83 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.713 -0.617 . . . . 0.0 110.964 179.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -51.25 -49.86 60.33 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 124.81 1.244 . . . . 0.0 112.191 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -60.42 -48.61 81.0 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.545 0.738 . . . . 0.0 110.871 -178.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -56.13 -44.9 79.63 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.989 0.813 . . . . 0.0 109.658 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.0 mt -59.76 -45.13 94.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -63.49 -41.01 98.56 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.956 0.798 . . . . 0.0 110.516 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -62.45 -48.1 81.12 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 120.294 1.406 . . . . 0.0 108.278 178.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.39 -40.46 86.66 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.746 -0.596 . . . . 0.0 110.945 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 22.5 mt -65.93 -48.53 71.06 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-O 118.072 -0.966 . . . . 0.0 112.347 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.2 -39.42 85.19 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 CA-C-N 119.293 0.952 . . . . 0.0 111.333 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.462 HD11 ' HG3' ' B' ' 46' ' ' GLU . 48.7 mt -71.2 -27.49 29.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 O-C-N 121.05 -1.032 . . . . 0.0 109.152 179.381 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.24 12.79 14.98 Favored 'General case' 0 N--CA 1.449 -0.523 0 O-C-N 120.966 -1.084 . . . . 0.0 111.109 179.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 10.3 m170 51.82 53.43 12.65 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 122.864 1.316 . . . . 0.0 110.266 -179.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 63.18 4.32 1.58 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 127.416 2.287 . . . . 0.0 113.601 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -77.27 106.17 8.84 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 120.302 1.41 . . . . 0.0 110.502 -179.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.1 tp -59.98 -43.24 91.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 123.939 0.895 . . . . 0.0 112.894 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -62.77 -46.45 87.94 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 119.772 1.169 . . . . 0.0 111.401 -178.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 16.3 ttt -63.01 -49.03 76.28 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.38 -42.33 81.92 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.885 0.874 . . . . 0.0 111.399 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -58.57 -41.73 86.36 Favored 'General case' 0 C--O 1.233 0.231 0 O-C-N 121.604 -0.685 . . . . 0.0 109.572 179.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -65.04 -37.23 86.91 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-O 117.907 -1.044 . . . . 0.0 109.682 179.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.4 mt -58.9 -54.83 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 106.209 -1.774 . . . . 0.0 106.209 178.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.0 mt -56.28 -35.99 68.1 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.315 0.646 . . . . 0.0 112.327 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.95 -36.74 84.94 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 119.721 1.146 . . . . 0.0 113.71 -179.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -104.08 -18.5 14.52 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -179.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -112.12 -17.35 12.84 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 t -125.91 23.64 7.18 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.296 1.838 . . . . 0.0 108.11 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -160.3 174.31 37.01 Favored Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 108.399 -1.88 . . . . 0.0 108.399 -179.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -68.61 108.85 1.94 Allowed 'Trans proline' 0 N--CA 1.451 -1.008 0 C-N-CA 122.921 2.414 . . . . 0.0 111.031 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.3 p -71.52 96.63 1.54 Allowed 'General case' 0 C--O 1.236 0.363 0 N-CA-C 105.042 -2.207 . . . . 0.0 105.042 178.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.3 t -63.03 -26.07 68.67 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 125.957 1.703 . . . . 0.0 115.534 -177.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.969 0 CA-C-N 121.764 2.074 . . . . 0.0 110.106 -179.741 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.533 0 N-CA-C 110.372 -1.091 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 6.3 p -71.33 175.16 5.62 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 124.183 0.993 . . . . 0.0 112.362 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 24.9 p -143.53 174.39 10.8 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 124.101 0.96 . . . . 0.0 110.528 178.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.27 -93.89 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 107.21 -2.356 . . . . 0.0 107.21 179.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 71.1 m -133.8 1.59 3.34 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.161 1.384 . . . . 0.0 112.52 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 15.7 t -101.84 130.96 48.41 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 124.435 1.094 . . . . 0.0 108.824 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.75 5.17 3.09 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 127.159 2.314 . . . . 0.0 111.169 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -76.1 159.25 30.93 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 126.608 1.963 . . . . 0.0 107.742 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 10.2 mp -108.77 -17.8 13.86 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 118.342 -0.837 . . . . 0.0 112.341 -179.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.87 -45.43 71.0 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.348 1.059 . . . . 0.0 111.329 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 15.8 p -62.11 -30.2 70.85 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.07 0.548 . . . . 0.0 111.927 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -78.64 -23.15 45.97 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.444 1.098 . . . . 0.0 111.777 -178.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 67.2 mt -66.91 -49.32 75.03 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 N-CA-C 106.051 -1.833 . . . . 0.0 106.051 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -60.29 -30.46 69.48 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 122.163 -0.336 . . . . 0.0 111.54 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 79.5 mtt180 -70.81 -37.93 73.29 Favored 'General case' 0 C--N 1.34 0.175 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 20.8 mt -70.94 -31.01 67.48 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 118.924 -0.56 . . . . 0.0 111.187 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 17.9 mtt -57.86 -33.0 68.2 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 118.761 0.71 . . . . 0.0 111.069 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 10.6 m -61.36 -23.15 65.57 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.728 0.811 . . . . 0.0 112.553 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -87.12 -1.81 58.16 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.384 -0.823 . . . . 0.0 111.138 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.65 -0.2 56.65 Favored Glycine 0 CA--C 1.523 0.576 0 CA-C-O 118.347 -1.252 . . . . 0.0 114.54 179.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -73.79 123.72 24.7 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 119.142 1.471 . . . . 0.0 108.846 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 6.0 m -62.81 155.96 25.34 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 118.504 0.593 . . . . 0.0 109.547 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -57.56 -47.16 82.84 Favored 'General case' 0 C--O 1.232 0.169 0 O-C-N 121.611 -0.681 . . . . 0.0 110.97 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -61.6 -43.44 98.86 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 118.61 -0.71 . . . . 0.0 110.952 -178.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -54.95 -50.52 68.69 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 31.3 mt -58.5 -44.53 89.26 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 O-C-N 121.093 -1.004 . . . . 0.0 109.072 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -59.92 -47.72 84.64 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.509 -0.744 . . . . 0.0 111.305 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -61.75 -46.96 87.36 Favored 'General case' 0 CA--C 1.52 -0.181 0 C-N-CA 123.653 0.781 . . . . 0.0 109.525 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.76 -43.89 97.41 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 119.047 -0.501 . . . . 0.0 109.953 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 33.6 mt -63.32 -47.3 82.78 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 119.103 0.865 . . . . 0.0 113.322 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 9.9 p -64.52 -47.04 90.85 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 CA-C-O 118.629 -0.701 . . . . 0.0 109.915 -179.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 58.5 mt -65.23 -35.47 75.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.47 1.96 15.08 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.132 -0.98 . . . . 0.0 111.944 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 31.9 m170 60.95 56.51 2.83 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 126.128 1.771 . . . . 0.0 110.435 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 56.5 29.6 15.69 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 126.357 1.863 . . . . 0.0 113.382 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -106.22 103.6 13.11 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 7.2 tp -60.77 -37.3 75.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 C-N-CA 123.374 0.67 . . . . 0.0 112.526 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -70.25 -36.82 74.71 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.506 1.048 . . . . 0.0 112.368 -178.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 12.7 ttt -73.39 -48.9 30.28 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 106.497 -1.668 . . . . 0.0 106.497 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.38 -39.66 84.07 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.973 0.909 . . . . 0.0 110.088 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -55.88 -43.9 77.62 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 123.717 0.807 . . . . 0.0 108.999 178.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 46.6 m-20 -65.26 -36.21 83.43 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-O 118.585 -0.721 . . . . 0.0 110.444 178.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.414 ' HA ' HD13 ' A' ' 32' ' ' ILE . 68.6 mt -60.71 -50.7 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 178.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.71 -37.87 83.15 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.329 0.652 . . . . 0.0 111.873 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -68.46 -33.23 73.82 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 -178.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.462 ' HG3' HD11 ' A' ' 32' ' ' ILE . 29.9 mm-40 -92.95 -53.24 4.23 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.602 0.637 . . . . 0.0 112.536 -178.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -78.23 -51.71 9.77 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 121.637 -0.665 . . . . 0.0 111.774 -178.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.0 16.25 5.17 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.272 1.029 . . . . 0.0 110.75 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -141.51 -178.08 17.34 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 125.358 1.456 . . . . 0.0 110.331 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -69.99 108.37 2.11 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 123.254 2.636 . . . . 0.0 112.523 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 6.1 p -82.02 67.6 8.08 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 178.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 23.3 t -49.05 -50.77 34.82 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 127.256 2.222 . . . . 0.0 111.903 -178.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 N-CA-C 106.452 -2.659 . . . . 0.0 106.452 179.294 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.828 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 m -150.83 177.13 10.41 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 125.239 1.416 . . . . 0.0 107.592 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 p -148.46 174.51 12.0 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 123.855 0.862 . . . . 0.0 108.85 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.44 -169.61 15.86 Favored Glycine 0 CA--C 1.523 0.58 0 C-N-CA 124.253 0.93 . . . . 0.0 110.849 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 p -84.09 -12.88 54.37 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.758 1.223 . . . . 0.0 113.73 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 p -63.46 176.87 0.75 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.281 1.832 . . . . 0.0 113.621 -179.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.05 161.97 31.46 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 107.938 -2.065 . . . . 0.0 107.938 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 -116.49 -170.81 1.89 Allowed 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 126.13 1.772 . . . . 0.0 107.603 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.6 mp -60.11 -23.01 63.5 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.321 -0.862 . . . . 0.0 109.571 178.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.63 -29.69 62.48 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.931 1.292 . . . . 0.0 109.7 178.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 62.9 p -63.56 -42.42 98.34 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.855 1.207 . . . . 0.0 109.973 178.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -64.17 -34.01 77.09 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.162 1.385 . . . . 0.0 110.739 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 59.9 mt -59.69 -45.5 94.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -65.45 -17.32 64.46 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 123.048 0.539 . . . . 0.0 111.946 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -87.85 -38.27 15.81 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 178.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.1 mt -61.19 -34.5 75.17 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 33.6 mtt -60.39 -40.0 89.3 Favored 'General case' 0 C--N 1.339 0.151 0 CA-C-N 118.43 0.559 . . . . 0.0 110.37 178.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.7 t -66.92 -25.7 66.5 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -73.21 -29.08 62.55 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 119.241 0.928 . . . . 0.0 109.747 178.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 133.18 -20.65 4.2 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 124.748 1.166 . . . . 0.0 113.529 179.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -67.13 131.84 46.61 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.449 1.124 . . . . 0.0 111.992 -178.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.21 153.06 43.54 Favored 'General case' 0 CA--C 1.53 0.192 0 O-C-N 121.781 -0.574 . . . . 0.0 110.14 179.494 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -59.62 -37.68 79.28 Favored 'General case' 0 C--O 1.236 0.382 0 O-C-N 121.532 -0.73 . . . . 0.0 110.826 179.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -58.58 -54.91 41.76 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.91 -52.44 57.68 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 127.897 2.479 . . . . 0.0 109.921 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 55.1 mt -53.3 -54.45 17.84 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 C-N-CA 124.324 1.05 . . . . 0.0 110.325 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -64.59 -50.81 65.77 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 117.428 -1.273 . . . . 0.0 109.866 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -48.61 -41.9 32.36 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 120.427 1.467 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.91 -47.27 63.1 Favored 'General case' 0 C--O 1.228 -0.075 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.2 mt -56.61 -47.56 79.35 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-O 117.982 -1.009 . . . . 0.0 111.061 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.9 t -54.62 -53.04 35.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-N 119.37 0.986 . . . . 0.0 109.487 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.16 -36.39 75.78 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 C-N-CA 123.324 0.65 . . . . 0.0 110.399 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.24 15.65 1.15 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.098 1.359 . . . . 0.0 112.201 179.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 30.2 m170 55.45 38.72 30.66 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 120.082 1.31 . . . . 0.0 109.961 -178.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 33.6 m120 65.8 16.76 10.62 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 128.705 2.802 . . . . 0.0 113.355 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -81.18 111.27 17.45 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.424 1.09 . . . . 0.0 108.385 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.1 tp -61.52 -42.37 93.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 124.294 1.037 . . . . 0.0 113.745 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -66.72 -46.06 76.72 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.15 -0.969 . . . . 0.0 110.424 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 16.3 ttt -61.94 -48.74 79.08 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.74 -39.84 86.11 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.506 0.723 . . . . 0.0 111.261 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -57.75 -43.18 85.24 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 123.505 0.722 . . . . 0.0 109.897 178.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -62.37 -42.35 99.34 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 123.923 0.764 . . . . 0.0 109.022 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 39.2 mt -57.21 -55.69 19.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.3 mt -55.04 -45.56 75.23 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.271 0.628 . . . . 0.0 111.683 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.6 ttt180 -64.23 -40.27 95.69 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -178.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -89.59 -22.98 22.08 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 115.615 1.709 . . . . 0.0 115.615 -178.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -112.21 -20.86 11.73 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 119.945 1.248 . . . . 0.0 113.78 -179.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.6 t -121.75 13.4 10.75 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.238 1.415 . . . . 0.0 109.089 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -143.01 -161.82 8.99 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 126.76 2.124 . . . . 0.0 110.249 -179.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -66.82 158.74 54.82 Favored 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 123.18 2.587 . . . . 0.0 113.721 -178.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.5 p -69.1 105.55 2.49 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 107.068 -1.456 . . . . 0.0 107.068 178.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 t 70.86 140.91 0.05 OUTLIER 'General case' 0 C--O 1.236 0.352 0 C-N-CA 126.052 1.741 . . . . 0.0 110.818 -179.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.074 0 CA-C-O 116.122 -2.488 . . . . 0.0 111.269 179.301 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.952 0 N-CA-C 108.271 -1.932 . . . . 0.0 108.271 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 14.7 m -132.61 164.87 25.72 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 106.703 -1.592 . . . . 0.0 106.703 178.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 12.4 p -144.51 -179.06 6.31 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 124.386 1.074 . . . . 0.0 109.325 -179.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.26 -175.62 15.73 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 108.228 -1.949 . . . . 0.0 108.228 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 3.0 p -68.62 2.21 2.62 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.942 1.297 . . . . 0.0 113.411 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 3.2 p -66.97 156.51 35.76 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.836 1.254 . . . . 0.0 110.53 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.46 166.37 27.28 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 126.143 1.83 . . . . 0.0 108.65 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -140.46 177.48 7.98 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.542 1.537 . . . . 0.0 108.364 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 10.9 mp -55.36 -22.35 19.06 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 119.452 1.024 . . . . 0.0 112.146 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.15 -32.18 54.62 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.73 1.212 . . . . 0.0 110.334 178.581 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 13.4 p -65.26 -42.69 92.98 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 118.432 0.56 . . . . 0.0 110.344 178.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -64.69 -38.31 90.55 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 90.4 mt -61.41 -43.24 96.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 N-CA-C 107.548 -1.278 . . . . 0.0 107.548 178.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -62.86 -38.47 90.96 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 118.604 0.638 . . . . 0.0 109.949 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 -68.3 -36.76 79.83 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 118.143 -0.932 . . . . 0.0 109.967 179.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 85.6 mt -66.55 -39.43 88.53 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 14.5 mtm -63.18 -43.42 98.27 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 178.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 9.5 t -62.32 -38.72 90.55 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.145 0.978 . . . . 0.0 109.312 178.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -59.02 -35.17 72.83 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-N 119.443 1.02 . . . . 0.0 109.979 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 145.17 -5.01 1.39 Allowed Glycine 0 C--N 1.337 0.623 0 CA-C-O 118.511 -1.161 . . . . 0.0 113.864 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -82.93 165.33 19.82 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 119.455 1.627 . . . . 0.0 110.831 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 55.7 m -102.81 152.35 21.36 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 125.19 1.396 . . . . 0.0 108.797 179.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -55.33 -36.56 66.38 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.542 0.337 . . . . 0.0 111.011 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -54.31 -63.87 1.01 Allowed 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.554 1.142 . . . . 0.0 111.3 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -57.12 -44.86 83.72 Favored 'General case' 0 CA--C 1.517 -0.319 0 C-N-CA 124.867 1.267 . . . . 0.0 111.474 -178.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 31.4 mt -59.85 -46.91 93.25 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -63.75 -55.43 23.27 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 118.701 -0.666 . . . . 0.0 110.227 179.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mtpp -50.79 -39.51 52.92 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.299 0.954 . . . . 0.0 110.702 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.43 -53.84 17.33 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-O 118.317 -0.849 . . . . 0.0 108.766 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 15.0 mt -52.33 -47.2 66.15 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.232 1.413 . . . . 0.0 112.246 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 55.0 t -56.43 -57.69 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 C-N-CA 125.484 1.514 . . . . 0.0 108.504 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 62.0 mt -66.81 -25.27 34.22 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 C-N-CA 123.06 0.544 . . . . 0.0 110.424 -179.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.74 15.33 3.3 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.755 1.622 . . . . 0.0 111.885 179.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 40.6 m170 52.66 45.77 28.02 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.322 1.049 . . . . 0.0 110.756 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 27.5 m120 62.45 25.39 15.14 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.389 1.876 . . . . 0.0 113.808 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -99.33 110.27 22.8 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.73 1.212 . . . . 0.0 108.816 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 5.0 tp -62.26 -37.26 78.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 124.48 1.112 . . . . 0.0 113.097 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -72.67 -45.01 61.04 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 124.168 0.987 . . . . 0.0 111.38 -178.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 19.1 ttt -60.64 -46.39 90.49 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 178.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.34 -37.87 81.99 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 118.612 -0.708 . . . . 0.0 110.363 178.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -61.17 -39.89 91.83 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 120.351 1.432 . . . . 0.0 109.329 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -60.98 -42.14 97.78 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 57.6 mt -60.25 -50.03 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 N-CA-C 106.884 -1.524 . . . . 0.0 106.884 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.25 -6.78 7.46 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.499 0.719 . . . . 0.0 112.342 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -96.48 -66.07 0.93 Allowed 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 119.847 1.203 . . . . 0.0 109.959 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -74.4 0.39 14.68 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 115.111 1.522 . . . . 0.0 115.111 -177.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -134.88 -58.86 0.8 Allowed 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 119.003 0.82 . . . . 0.0 109.589 178.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 3.1 t -81.03 -0.82 41.42 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.986 -0.446 . . . . 0.0 112.175 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -124.89 -167.4 12.6 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 125.522 1.535 . . . . 0.0 109.842 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -75.09 -156.56 0.06 OUTLIER 'Trans proline' 0 CA--C 1.544 1.008 0 C-N-CA 124.193 3.262 . . . . 0.0 109.587 179.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 13.1 p -66.28 175.7 2.07 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 120.553 -1.342 . . . . 0.0 110.722 178.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 4.5 t -55.55 154.13 6.91 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 123.635 0.774 . . . . 0.0 110.405 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.866 0 N-CA-C 105.969 -2.852 . . . . 0.0 105.969 -178.647 . . . . . . . . 0 0 . 1 stop_ save_